Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** LABYRINTHITE 1, td-eudialyte, DF (Na,Sr,K)(35)Ca(12)Fe(3)Zr(6)TiSi(51)O(144)(O,OH)(9)Cl(3) Hexagonal R 3 Z = 3 R =0.054 NR =3503 16 .4 .1902 Ref.Str.: R.K. Rastsvetaeva, A.P. Khomyakov (2001) * Kristallogr., 46, 827-832 Reserv: from Khibini, Russia. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 14.239 alpha = 90.0 b = 14.239 beta = 90.0 c = 60.733 gamma = 120.0 Unit cell volume (cub. angs.) = 10663.86 Molar volume ( cub.cm/mol.) = 2141.08 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1659 0.3321 0.0829 1.35 Zr = 1.00 2 0.9988 0.4992 0.2481 1.29 Zr = 1.00 3 0.0727 0.6678 0.1658 1.08 Ca = 1.00 4 0.5945 0.6679 0.1658 0.99 Ca = 1.00 5 0.9996 0.262 0.9991 0.89 Ca = 1.00 6 0.2615 0.262 0.9992 0.96 Ca = 1.00 7 0.3248 0.0551 0.1182 1.29 Si = 1.00 8 0.3263 0.2685 0.1178 1.15 Si = 1.00 9 0.2496 0.1253 0.2948 1.13 Si = 1.00 10 0.0641 0.3419 0.2841 1.0 Si = 1.00 11 0.2766 0.3401 0.2839 1.96 Si = 1.00 12 0.5979 0.4037 0.291 0.96 Si = 1.00 13 0.071 0.1428 0.0408 0.98 Si = 1.00 14 0.4044 0.5962 0.2068 0.93 Si = 1.00 15 0.5418 0.4589 0.1281 1.82 Si = 1.00 16 0.2625 0.5261 0.1252 1.1 Si = 1.00 17 0.0054 0.6088 0.0486 1.15 Si = 1.00 18 0.007 0.397 0.0484 1.25 Si = 1.00 19 0.1243 0.2485 0.2038 1.61 Si = 1.00 20 0.4173 0.2091 0.0369 1.18 Si = 1.00 21 0.3398 0.0636 0.2141 1.24 Si = 1.00 22 0.3384 0.2736 0.2145 1.07 Si = 1.00 23 0.3551 0.1766 0.1089 2.1 O = 1.00 24 0.3083 0.1521 0.3182 1.8 O = 1.00 25 0.5157 0.0326 0.1518 1.2 O = 1.00 26 0.3856 0.2808 0.0534 0.8 O = 1.00 27 0.3875 0.1063 0.0534 3.2 O = 1.00 28 0.0729 0.3691 0.3089 1.7 O = 1.00 29 0.2917 0.3688 0.3092 0.8 O = 1.00 30 0.03 0.2585 0.1038 2.2 O = 1.00 31 0.2257 0.2542 0.1039 2.5 O = 1.00 32 0.3111 0.1549 0.2231 2.2 O = 1.00 33 0.1008 0.4032 0.0632 2.0 O = 1.00 34 0.3028 0.407 0.0636 2.0 O = 1.00 35 0.0566 0.1175 0.2051 4.0 O = 1.00 36 0.5687 0.1407 0.2664 2.1 O = 1.00 37 0.2344 0.4731 0.1013 2.6 O = 1.00 38 0.2986 0.2515 0.1438 0.6 O = 1.00 39 0.3007 0.0467 0.1437 1.8 O = 1.00 40 0.5523 0.4493 0.3103 1.2 O = 1.00 41 0.2715 0.5439 0.2054 1.9 O = 1.00 42 0.0353 0.6268 0.0224 1.4 O = 1.00 43 0.0351 0.4037 0.0229 2.2 O = 1.00 44 0.3666 0.2871 0.1883 1.2 O = 1.00 45 0.3634 0.0765 0.1884 2.4 O = 1.00 46 0.1232 0.0606 0.0395 1.2 O = 1.00 47 0.5423 0.2692 0.2935 1.9 O = 1.00 48 0.0572 0.2937 0.2189 2.2 O = 1.00 49 0.2332 0.2871 0.2188 0.8 O = 1.00 50 0.5067 0.019 0.0564 1.6 O = 1.00 51 0.3965 0.6061 0.1273 1.5 O = 1.00 52 0.0924 0.1875 0.0654 1.5 O = 1.00 53 0.0684 0.6341 0.2683 1.6 O = 1.00 54 0.5677 0.6324 0.2682 1.3 O = 1.00 55 0.1558 0.3178 0.2739 1.7 O = 1.00 56 0.4381 0.364 0.2288 2.9 O = 1.00 57 0.4358 0.0712 0.2287 2.3 O = 1.00 58 0.5468 0.2715 0.0333 3.9 O = 1.00 59 0.1135 0.23 0.0218 2.0 O = 1.00 60 0.2201 0.4411 0.1445 1.5 O = 1.00 61 0.1031 0.5511 0.1874 2.3 O = 1.00 62 0.2792 0.2278 0.2788 0.8 O = 1.00 63 0.2766 0.0498 0.2788 3.8 O = 1.00 64 0.6037 0.2118 0.1253 3.6 O = 1.00 65 0.4354 0.3849 0.1127 2.6 O = 1.00 66 0.6122 0.5684 0.1126 5.2 O = 1.00 67 0.1199 0.0576 0.2996 4.0 O = 1.00 68 0.1504 0.3031 0.1804 2.3 O = 1.00 69 0.4303 0.5732 0.2313 2.2 O = 1.00 70 0.3601 0.1765 0.0144 1.5 O = 1.00 71 0.0 0.0 0.1938 2.1 Si = 1.00 72 0.0 0.0 0.2888 1.4 Si = 1.00 73 0.6667 0.3333 0.0441 1.6 Si = 1.00 74 0.6667 0.3333 0.1346 6.8 Si = 0.2 , Si = 0.0 75 0.6667 0.3333 0.1421 3.3 Ti = 0.52, Ti = 0.0 76 0.3253 0.1613 0.1663 2.31 Fe = 0.73, Fe = 0.0 77 0.3839 0.1918 0.1644 2.0 Mn = 0.27, Mn = 0.0 78 0.0971 0.5479 0.3033 2.5 Na = 1.00 79 0.2205 0.111 0.076 2.4 Na = 1.00 80 0.2143 0.43 0.0281 2.6 Na = 1.00 81 0.4391 0.5604 0.0889 2.8 Na = 0.35, Na = 0.0 82 0.1687 0.5859 0.0817 6.1 Na = 0.65, Na = 0.0 83 0.5659 0.4352 0.1903 2.5 Na = 1.00 84 0.2202 0.4413 0.2425 2.9 Na = 1.00 85 0.4911 0.2451 0.2497 3.9 Na = 1.00 86 0.096 0.166 0.2486 7.8 Na = 0.29, Na = 0.0 87 0.156 0.127 0.247 7.1 Na = 0.49, Na = 0.0 88 0.154 0.035 0.2449 6.9 Na = 0.22, Na = 0.0 89 0.5032 0.2563 0.0861 5.2 Na = 0.8 , Na = 0.0 90 0.521 0.331 0.0831 4.9 Na = 0.2 , Na = 0.0 91 0.0926 0.1835 0.1439 2.4 Na = 0.63, Na = 0.0 92 0.1054 0.2143 0.1405 3.3 Na = 0.37, Na = 0.0 93 0.993 0.494 0.0025 2.7 Na = 0.41, Na = 0.0 94 0.5604 0.439 0.0018 2.1 Na = 0.57, Na = 0.0 95 0.1147 0.5585 0.9969 2.0 Na = 0.53, Na = 0.0 96 0.0 0.0 0.2631 2.1 OH = 1.00 97 0.6667 0.3333 0.0711 2.7 OH = 1.00 98 0.556 0.281 0.1639 4.7 OH = 0.5 , OH = 0.0 99 0.6667 0.3333 0.159 7.8 OH = 0.2 , OH = 0.0 100 0.0 0.0 0.1681 5.2 OH = 1.00 101 0.3333 0.6667 0.2628 7.3 H(2)O = 1.00 102 0.3333 0.6667 0.076 9.0 H(2)O = 0.66, H(2)O = 0.0 103 0.6667 0.3333 0.209 4.0 H(2)O = 0.32, H(2)O = 0.0 104 0.0 0.0 0.1198 3.1 H(2)O = 0.86, H(2)O = 0.0 105 0.3333 0.6667 0.3118 3.7 Cl = 1.00 106 0.3333 0.6667 0.02 3.5 Cl = 0.9 , Cl = 0.0 107 0.3333 0.6667 0.046 3.0 Cl = 0.1 , Cl = 0.0 108 0.6667 0.3333 0.2164 2.2 Cl = 0.68, Cl = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1659 0.3321 0.0829 2 2 0.9988 0.4992 0.2481 3 3 0.0727 0.6678 0.1658 4 4 0.5945 0.6679 0.1658 5 5 0.9996 0.262 0.9991 6 6 0.2615 0.262 0.9992 7 7 0.3248 0.0551 0.1182 8 8 0.3263 0.2685 0.1178 9 9 0.2496 0.1253 0.2948 10 10 0.0641 0.3419 0.2841 11 11 0.2766 0.3401 0.2839 12 12 0.5979 0.4037 0.291 13 13 0.071 0.1428 0.0408 14 14 0.4044 0.5962 0.2068 15 15 0.5418 0.4589 0.1281 16 16 0.2625 0.5261 0.1252 17 17 0.0054 0.6088 0.0486 18 18 0.007 0.397 0.0484 19 19 0.1243 0.2485 0.2038 20 20 0.4173 0.2091 0.0369 21 21 0.3398 0.0636 0.2141 22 22 0.3384 0.2736 0.2145 23 23 0.3551 0.1766 0.1089 24 24 0.3083 0.1521 0.3182 25 25 0.5157 0.0326 0.1518 26 26 0.3856 0.2808 0.0534 27 27 0.3875 0.1063 0.0534 28 28 0.0729 0.3691 0.3089 29 29 0.2917 0.3688 0.3092 30 30 0.03 0.2585 0.1038 31 31 0.2257 0.2542 0.1039 32 32 0.3111 0.1549 0.2231 33 33 0.1008 0.4032 0.0632 34 34 0.3028 0.407 0.0636 35 35 0.0566 0.1175 0.2051 36 36 0.5687 0.1407 0.2664 37 37 0.2344 0.4731 0.1013 38 38 0.2986 0.2515 0.1438 39 39 0.3007 0.0467 0.1437 40 40 0.5523 0.4493 0.3103 41 41 0.2715 0.5439 0.2054 42 42 0.0353 0.6268 0.0224 43 43 0.0351 0.4037 0.0229 44 44 0.3666 0.2871 0.1883 45 45 0.3634 0.0765 0.1884 46 46 0.1232 0.0606 0.0395 47 47 0.5423 0.2692 0.2935 48 48 0.0572 0.2937 0.2189 49 49 0.2332 0.2871 0.2188 50 50 0.5067 0.019 0.0564 51 51 0.3965 0.6061 0.1273 52 52 0.0924 0.1875 0.0654 53 53 0.0684 0.6341 0.2683 54 54 0.5677 0.6324 0.2682 55 55 0.1558 0.3178 0.2739 56 56 0.4381 0.364 0.2288 57 57 0.4358 0.0712 0.2287 58 58 0.5468 0.2715 0.0333 59 59 0.1135 0.23 0.0218 60 60 0.2201 0.4411 0.1445 61 61 0.1031 0.5511 0.1874 62 62 0.2792 0.2278 0.2788 63 63 0.2766 0.0498 0.2788 64 64 0.6037 0.2118 0.1253 65 65 0.4354 0.3849 0.1127 66 66 0.6122 0.5684 0.1126 67 67 0.1199 0.0576 0.2996 68 68 0.1504 0.3031 0.1804 69 69 0.4303 0.5732 0.2313 70 70 0.3601 0.1765 0.0144 71 71 0.0 0.0 0.1938 72 72 0.0 0.0 0.2888 73 73 0.6667 0.3333 0.0441 74 74 0.6667 0.3333 0.1346 75 75 0.6667 0.3333 0.1421 76 76 0.3253 0.1613 0.1663 77 77 0.3839 0.1918 0.1644 78 78 0.0971 0.5479 0.3033 79 79 0.2205 0.111 0.076 80 80 0.2143 0.43 0.0281 81 81 0.4391 0.5604 0.0889 82 82 0.1687 0.5859 0.0817 83 83 0.5659 0.4352 0.1903 84 84 0.2202 0.4413 0.2425 85 85 0.4911 0.2451 0.2497 86 86 0.096 0.166 0.2486 87 87 0.156 0.127 0.247 88 88 0.154 0.035 0.2449 89 89 0.5032 0.2563 0.0861 90 90 0.521 0.331 0.0831 91 91 0.0926 0.1835 0.1439 92 92 0.1054 0.2143 0.1405 93 93 0.993 0.494 0.0025 94 94 0.5604 0.439 0.0018 95 95 0.1147 0.5585 0.9969 96 96 0.0 0.0 0.2631 97 97 0.6667 0.3333 0.0711 98 98 0.556 0.281 0.1639 99 99 0.6667 0.3333 0.159 100 100 0.0 0.0 0.1681 101 101 0.3333 0.6667 0.2628 102 102 0.3333 0.6667 0.076 103 103 0.6667 0.3333 0.209 104 104 0.0 0.0 0.1198 105 105 0.3333 0.6667 0.3118 106 106 0.3333 0.6667 0.02 107 107 0.3333 0.6667 0.046 108 108 0.6667 0.3333 0.2164 109 1 0.6679 0.8338 0.0829 110 1 0.1662 0.8341 0.0829 111 2 0.5008 0.4996 0.2481 112 2 0.5004 0.0012 0.2481 113 3 0.3322 0.4049 0.1658 114 3 0.5951 0.9273 0.1658 115 4 0.3321 0.9266 0.1658 116 4 0.0734 0.4055 0.1658 117 5 0.738 0.7376 0.9991 118 5 0.2624 0.0004 0.9991 119 6 0.738 0.9995 0.9992 120 6 0.0005 0.7385 0.9992 121 7 0.9449 0.2697 0.1182 122 7 0.7303 0.6752 0.1182 123 8 0.7315 0.0578 0.1178 124 8 0.9422 0.6737 0.1178 125 9 0.8747 0.1243 0.2948 126 9 0.8757 0.7504 0.2948 127 10 0.6581 0.7222 0.2841 128 10 0.2778 0.9359 0.2841 129 11 0.6599 0.9365 0.2839 130 11 0.0635 0.7234 0.2839 131 12 0.5963 0.1942 0.291 132 12 0.8058 0.4021 0.291 133 13 0.8572 0.9282 0.0408 134 13 0.0718 0.929 0.0408 135 14 0.4038 0.8082 0.2068 136 14 0.1918 0.5956 0.2068 137 15 0.5411 0.0829 0.1281 138 15 0.9171 0.4582 0.1281 139 16 0.4739 0.7364 0.1252 140 16 0.2636 0.7375 0.1252 141 17 0.3912 0.3966 0.0486 142 17 0.6034 0.9946 0.0486 143 18 0.603 0.61 0.0484 144 18 0.39 0.993 0.0484 145 19 0.7515 0.8758 0.2038 146 19 0.1242 0.8757 0.2038 147 20 0.7909 0.2082 0.0369 148 20 0.7918 0.5827 0.0369 149 21 0.9364 0.2762 0.2141 150 21 0.7238 0.6602 0.2141 151 22 0.7264 0.0648 0.2145 152 22 0.9352 0.6616 0.2145 153 23 0.8234 0.1785 0.1089 154 23 0.8215 0.6449 0.1089 155 24 0.8479 0.1562 0.3182 156 24 0.8438 0.6917 0.3182 157 25 0.9674 0.4831 0.1518 158 25 0.5169 0.4843 0.1518 159 26 0.7192 0.1048 0.0534 160 26 0.8952 0.6144 0.0534 161 27 0.8937 0.2812 0.0534 162 27 0.7188 0.6125 0.0534 163 28 0.6309 0.7038 0.3089 164 28 0.2962 0.9271 0.3089 165 29 0.6312 0.9229 0.3092 166 29 0.0771 0.7083 0.3092 167 30 0.7415 0.7715 0.1038 168 30 0.2285 0.97 0.1038 169 31 0.7458 0.9715 0.1039 170 31 0.0285 0.7743 0.1039 171 32 0.8451 0.1562 0.2231 172 32 0.8438 0.6889 0.2231 173 33 0.5968 0.6976 0.0632 174 33 0.3024 0.8992 0.0632 175 34 0.593 0.8958 0.0636 176 34 0.1042 0.6972 0.0636 177 35 0.8825 0.9391 0.2051 178 35 0.0609 0.9434 0.2051 179 36 0.8593 0.428 0.2664 180 36 0.572 0.4313 0.2664 181 37 0.5269 0.7613 0.1013 182 37 0.2387 0.7656 0.1013 183 38 0.7485 0.0471 0.1438 184 38 0.9529 0.7014 0.1438 185 39 0.9533 0.254 0.1437 186 39 0.746 0.6993 0.1437 187 40 0.5507 0.103 0.3103 188 40 0.897 0.4477 0.3103 189 41 0.4561 0.7276 0.2054 190 41 0.2724 0.7285 0.2054 191 42 0.3732 0.4085 0.0224 192 42 0.5915 0.9647 0.0224 193 43 0.5963 0.6314 0.0229 194 43 0.3686 0.9649 0.0229 195 44 0.7129 0.0795 0.1883 196 44 0.9205 0.6334 0.1883 197 45 0.9235 0.2869 0.1884 198 45 0.7131 0.6366 0.1884 199 46 0.9394 0.0626 0.0395 200 46 0.9374 0.8768 0.0395 201 47 0.7308 0.2731 0.2935 202 47 0.7269 0.4577 0.2935 203 48 0.7063 0.7635 0.2189 204 48 0.2365 0.9428 0.2189 205 49 0.7129 0.9461 0.2188 206 49 0.0539 0.7668 0.2188 207 50 0.981 0.4877 0.0564 208 50 0.5123 0.4933 0.0564 209 51 0.3939 0.7904 0.1273 210 51 0.2096 0.6035 0.1273 211 52 0.8125 0.9049 0.0654 212 52 0.0951 0.9076 0.0654 213 53 0.3659 0.4343 0.2683 214 53 0.5657 0.9316 0.2683 215 54 0.3676 0.9353 0.2682 216 54 0.0647 0.4323 0.2682 217 55 0.6822 0.838 0.2739 218 55 0.162 0.8442 0.2739 219 56 0.636 0.0741 0.2288 220 56 0.9259 0.5619 0.2288 221 57 0.9288 0.3646 0.2287 222 57 0.6354 0.5642 0.2287 223 58 0.7285 0.2753 0.0333 224 58 0.7247 0.4532 0.0333 225 59 0.77 0.8835 0.0218 226 59 0.1165 0.8865 0.0218 227 60 0.5589 0.779 0.1445 228 60 0.221 0.7799 0.1445 229 61 0.4489 0.552 0.1874 230 61 0.448 0.8969 0.1874 231 62 0.7722 0.0514 0.2788 232 62 0.9486 0.7208 0.2788 233 63 0.9502 0.2268 0.2788 234 63 0.7732 0.7234 0.2788 235 64 0.7882 0.3919 0.1253 236 64 0.6081 0.3963 0.1253 237 65 0.6151 0.0505 0.1127 238 65 0.9495 0.5646 0.1127 239 66 0.4316 0.0438 0.1126 240 66 0.9562 0.3878 0.1126 241 67 0.9424 0.0623 0.2996 242 67 0.9377 0.8801 0.2996 243 68 0.6969 0.8473 0.1804 244 68 0.1527 0.8496 0.1804 245 69 0.4268 0.8571 0.2313 246 69 0.1429 0.5697 0.2313 247 70 0.8235 0.1836 0.0144 248 70 0.8164 0.6399 0.0144 249 76 0.8387 0.164 0.1663 250 76 0.836 0.6747 0.1663 251 77 0.8082 0.1921 0.1644 252 77 0.8079 0.6161 0.1644 253 78 0.4521 0.5492 0.3033 254 78 0.4508 0.9029 0.3033 255 79 0.889 0.1095 0.076 256 79 0.8905 0.7795 0.076 257 80 0.57 0.7843 0.0281 258 80 0.2157 0.7857 0.0281 259 81 0.4396 0.8787 0.0889 260 81 0.1213 0.5609 0.0889 261 82 0.4141 0.5828 0.0817 262 82 0.4172 0.8313 0.0817 263 83 0.5648 0.1307 0.1903 264 83 0.8693 0.4341 0.1903 265 84 0.5587 0.7789 0.2425 266 84 0.2211 0.7798 0.2425 267 85 0.7549 0.246 0.2497 268 85 0.754 0.5089 0.2497 269 86 0.834 0.93 0.2486 270 86 0.07 0.904 0.2486 271 87 0.873 0.029 0.247 272 87 0.971 0.844 0.247 273 88 0.965 0.119 0.2449 274 88 0.881 0.846 0.2449 275 89 0.7437 0.2469 0.0861 276 89 0.7531 0.4968 0.0861 277 90 0.669 0.19 0.0831 278 90 0.81 0.479 0.0831 279 91 0.8165 0.9091 0.1439 280 91 0.0909 0.9074 0.1439 281 92 0.7857 0.8911 0.1405 282 92 0.1089 0.8946 0.1405 283 93 0.506 0.499 0.0025 284 93 0.501 0.007 0.0025 285 94 0.561 0.1214 0.0018 286 94 0.8786 0.4396 0.0018 287 95 0.4415 0.5562 0.9969 288 95 0.4438 0.8853 0.9969 289 98 0.719 0.275 0.1639 290 98 0.725 0.444 0.1639 291 1 0.3346 0.1671 0.4162 292 1 0.4995 0.5008 0.7496 293 2 0.1675 0.8329 0.5814 294 2 0.8337 0.6679 0.9148 295 3 0.9989 0.7382 0.4991 296 3 0.9284 0.594 0.8325 297 4 0.9988 0.2599 0.4991 298 4 0.4067 0.0722 0.8325 299 5 0.4047 0.0709 0.3324 300 5 0.5957 0.6671 0.6658 301 6 0.4047 0.3328 0.3325 302 6 0.3338 0.4052 0.6659 303 7 0.6116 0.603 0.4515 304 7 0.0636 0.3419 0.7849 305 8 0.3982 0.3911 0.4511 306 8 0.2755 0.3404 0.7845 307 9 0.5414 0.4576 0.6281 308 9 0.209 0.4171 0.9615 309 10 0.3248 0.0555 0.6174 310 10 0.6111 0.6026 0.9508 311 11 0.3266 0.2698 0.6172 312 11 0.3968 0.3901 0.9506 313 12 0.263 0.5275 0.6243 314 12 0.1391 0.0688 0.9577 315 13 0.5239 0.2615 0.3741 316 13 0.4051 0.5957 0.7075 317 14 0.0705 0.1415 0.5401 318 14 0.5251 0.2623 0.8735 319 15 0.2078 0.4162 0.4614 320 15 0.2504 0.1249 0.7948 321 16 0.1406 0.0697 0.4585 322 16 0.5969 0.4042 0.7919 323 17 0.0579 0.7299 0.3819 324 17 0.9367 0.6613 0.7153 325 18 0.2697 0.9433 0.3817 326 18 0.7233 0.6597 0.7151 327 19 0.4182 0.2091 0.5371 328 19 0.4575 0.5424 0.8705 329 20 0.4576 0.5415 0.3702 330 20 0.1251 0.2494 0.7036 331 21 0.6031 0.6095 0.5474 332 21 0.0571 0.3269 0.8808 333 22 0.3931 0.3981 0.5478 334 22 0.2685 0.3283 0.8812 335 23 0.4901 0.5118 0.4422 336 23 0.1548 0.3116 0.7756 337 24 0.5146 0.4895 0.6515 338 24 0.1771 0.3584 0.9849 339 25 0.6341 0.8164 0.4851 340 25 0.8502 0.151 0.8185 341 26 0.3859 0.4381 0.3867 342 26 0.2285 0.2811 0.7201 343 27 0.5604 0.6145 0.3867 344 27 0.0521 0.2792 0.7201 345 28 0.2976 0.0371 0.6422 346 28 0.6295 0.5938 0.9756 347 29 0.2979 0.2562 0.6425 348 29 0.4104 0.375 0.9759 349 30 0.4082 0.1048 0.4371 350 30 0.5618 0.6367 0.7705 351 31 0.4125 0.3048 0.4372 352 31 0.3618 0.441 0.7706 353 32 0.5118 0.4895 0.5564 354 32 0.1771 0.3556 0.8898 355 33 0.2635 0.0309 0.3965 356 33 0.6357 0.5659 0.7299 357 34 0.2597 0.2291 0.3969 358 34 0.4375 0.3639 0.7303 359 35 0.5492 0.2724 0.5384 360 35 0.3942 0.6101 0.8718 361 36 0.526 0.7613 0.5997 362 36 0.9053 0.098 0.9331 363 37 0.1936 0.0946 0.4346 364 37 0.572 0.4323 0.768 365 38 0.4152 0.3804 0.4771 366 38 0.2862 0.3681 0.8105 367 39 0.62 0.5873 0.477 368 39 0.0793 0.366 0.8104 369 40 0.2174 0.4363 0.6436 370 40 0.2303 0.1144 0.977 371 41 0.1228 0.0609 0.5387 372 41 0.6057 0.3952 0.8721 373 42 0.0399 0.7418 0.3557 374 42 0.9248 0.6314 0.6891 375 43 0.263 0.9647 0.3562 376 43 0.7019 0.6316 0.6896 377 44 0.3796 0.4128 0.5216 378 44 0.2538 0.3001 0.855 379 45 0.5902 0.6202 0.5217 380 45 0.0464 0.3033 0.8551 381 46 0.6061 0.3959 0.3728 382 46 0.2707 0.5435 0.7062 383 47 0.3975 0.6064 0.6268 384 47 0.0602 0.1244 0.9602 385 48 0.373 0.0968 0.5522 386 48 0.5698 0.6095 0.8856 387 49 0.3796 0.2794 0.5521 388 49 0.3872 0.4335 0.8855 389 50 0.6477 0.821 0.3897 390 50 0.8456 0.16 0.7231 391 51 0.0606 0.1237 0.4606 392 51 0.5429 0.2702 0.794 393 52 0.4792 0.2382 0.3987 394 52 0.4284 0.5743 0.7321 395 53 0.0326 0.7676 0.6016 396 53 0.899 0.5983 0.935 397 54 0.0343 0.2686 0.6015 398 54 0.398 0.099 0.9349 399 55 0.3489 0.1713 0.6072 400 55 0.4953 0.5109 0.9406 401 56 0.3027 0.4074 0.5621 402 56 0.2592 0.2286 0.8955 403 57 0.5955 0.6979 0.562 404 57 0.9687 0.2309 0.8954 405 58 0.3952 0.6086 0.3666 406 58 0.058 0.1199 0.7 407 59 0.4367 0.2168 0.3551 408 59 0.4498 0.5532 0.6885 409 60 0.2256 0.1123 0.4778 410 60 0.5543 0.4466 0.8112 411 61 0.1156 0.8853 0.5207 412 61 0.7813 0.5636 0.8541 413 62 0.4389 0.3847 0.6121 414 62 0.2819 0.3875 0.9455 415 63 0.6169 0.5601 0.6121 416 63 0.1065 0.3901 0.9455 417 64 0.4549 0.7252 0.4586 418 64 0.9414 0.063 0.792 419 65 0.2818 0.3838 0.446 420 65 0.2828 0.2313 0.7794 421 66 0.0983 0.3771 0.4459 422 66 0.2895 0.0545 0.7793 423 67 0.6091 0.3956 0.6329 424 67 0.271 0.5468 0.9663 425 68 0.3636 0.1806 0.5137 426 68 0.486 0.5163 0.8471 427 69 0.0935 0.1904 0.5646 428 69 0.4762 0.2364 0.898 429 70 0.4902 0.5169 0.3477 430 70 0.1497 0.3066 0.6811 431 71 0.6667 0.3333 0.5271 432 71 0.3333 0.6667 0.8605 433 72 0.6667 0.3333 0.6221 434 72 0.3333 0.6667 0.9555 435 73 0.3334 0.6667 0.3774 436 73 0.0 0.0 0.7108 437 74 0.3334 0.6667 0.4679 438 74 0.0 0.0 0.8013 439 75 0.3334 0.6667 0.4754 440 75 0.0 0.0 0.8088 441 76 0.5054 0.4973 0.4996 442 76 0.1693 0.3414 0.833 443 77 0.4749 0.5254 0.4977 444 77 0.1412 0.2828 0.8311 445 78 0.1188 0.8825 0.6366 446 78 0.7841 0.5696 0.97 447 79 0.5557 0.4428 0.4093 448 79 0.2238 0.4462 0.7427 449 80 0.2367 0.1176 0.3614 450 80 0.549 0.4524 0.6948 451 81 0.1063 0.212 0.4222 452 81 0.4546 0.2276 0.7556 453 82 0.0808 0.9161 0.415 454 82 0.7505 0.498 0.7484 455 83 0.2315 0.464 0.5236 456 83 0.2026 0.1008 0.857 457 84 0.2254 0.1122 0.5758 458 84 0.5544 0.4465 0.9092 459 85 0.4216 0.5793 0.583 460 85 0.0873 0.1756 0.9164 461 86 0.5007 0.2633 0.5819 462 86 0.4033 0.5707 0.9153 463 87 0.5397 0.3623 0.5803 464 87 0.3043 0.5107 0.9137 465 88 0.6317 0.4523 0.5782 466 88 0.2143 0.5127 0.9116 467 89 0.4104 0.5802 0.4194 468 89 0.0864 0.1635 0.7528 469 90 0.3357 0.5233 0.4164 470 90 0.1433 0.1457 0.7498 471 91 0.4832 0.2424 0.4772 472 91 0.4242 0.5741 0.8106 473 92 0.4524 0.2244 0.4738 474 92 0.4422 0.5613 0.8072 475 93 0.1727 0.8323 0.3358 476 93 0.8343 0.6737 0.6692 477 94 0.2277 0.4547 0.3351 478 94 0.2119 0.1063 0.6685 479 95 0.1082 0.8895 0.3302 480 95 0.7771 0.552 0.6636 481 96 0.6667 0.3333 0.5964 482 96 0.3333 0.6667 0.9298 483 97 0.3334 0.6667 0.4044 484 97 0.0 0.0 0.7378 485 98 0.3857 0.6083 0.4972 486 98 0.0583 0.1107 0.8306 487 99 0.3334 0.6667 0.4923 488 99 0.0 0.0 0.8257 489 100 0.6667 0.3333 0.5014 490 100 0.3333 0.6667 0.8348 491 101 0.0 0.0 0.5961 492 101 0.6667 0.3334 0.9295 493 102 0.0 0.0 0.4093 494 102 0.6667 0.3334 0.7427 495 103 0.3334 0.6667 0.5423 496 103 0.0 0.0 0.8757 497 104 0.6667 0.3333 0.4531 498 104 0.3333 0.6667 0.7865 499 105 0.0 0.0 0.6451 500 105 0.6667 0.3334 0.9785 501 106 0.0 0.0 0.3533 502 106 0.6667 0.3334 0.6867 503 107 0.0 0.0 0.3793 504 107 0.6667 0.3334 0.7127 505 108 0.3334 0.6667 0.5497 506 108 0.0 0.0 0.8831 507 1 0.8329 0.1674 0.4162 508 1 0.4992 0.9988 0.7496 509 1 0.8326 0.6654 0.4162 510 1 0.0012 0.5004 0.7496 511 2 0.1671 0.3345 0.5814 512 2 0.3321 0.1659 0.9148 513 2 0.6655 0.8325 0.5814 514 2 0.8341 0.1662 0.9148 515 3 0.2618 0.2606 0.4991 516 3 0.406 0.3345 0.8325 517 3 0.7394 0.0011 0.4991 518 3 0.6655 0.0716 0.8325 519 4 0.7401 0.7388 0.4991 520 4 0.9278 0.3346 0.8325 521 4 0.2612 0.0012 0.4991 522 4 0.6654 0.5932 0.8325 523 5 0.9291 0.3337 0.3324 524 5 0.3329 0.9287 0.6658 525 5 0.6663 0.5953 0.3324 526 5 0.0713 0.4042 0.6658 527 6 0.6672 0.0718 0.3325 528 6 0.5948 0.9287 0.6659 529 6 0.9282 0.5953 0.3325 530 6 0.0713 0.6662 0.6659 531 7 0.397 0.0085 0.4515 532 7 0.6581 0.7218 0.7849 533 7 0.9915 0.3884 0.4515 534 7 0.2782 0.9363 0.7849 535 8 0.6089 0.007 0.4511 536 8 0.6596 0.9352 0.7845 537 8 0.993 0.6018 0.4511 538 8 0.0648 0.7244 0.7845 539 9 0.5424 0.0837 0.6281 540 9 0.5829 0.792 0.9615 541 9 0.9163 0.4586 0.6281 542 9 0.208 0.7909 0.9615 543 10 0.9445 0.2692 0.6174 544 10 0.3974 0.0086 0.9508 545 10 0.7308 0.6752 0.6174 546 10 0.9914 0.3888 0.9508 547 11 0.7302 0.0567 0.6172 548 11 0.6099 0.0068 0.9506 549 11 0.9433 0.6734 0.6172 550 11 0.9932 0.6031 0.9506 551 12 0.4725 0.7354 0.6243 552 12 0.9312 0.0704 0.9577 553 12 0.2646 0.737 0.6243 554 12 0.9296 0.8608 0.9577 555 13 0.7385 0.2623 0.3741 556 13 0.4043 0.8095 0.7075 557 13 0.7377 0.4761 0.3741 558 13 0.1905 0.5949 0.7075 559 14 0.8585 0.9289 0.5401 560 14 0.7377 0.2629 0.8735 561 14 0.0711 0.9295 0.5401 562 14 0.7371 0.4748 0.8735 563 15 0.5838 0.7915 0.4614 564 15 0.8751 0.1256 0.7948 565 15 0.2085 0.7922 0.4614 566 15 0.8744 0.7495 0.7948 567 16 0.9303 0.0708 0.4585 568 16 0.5958 0.1928 0.7919 569 16 0.9292 0.8594 0.4585 570 16 0.8072 0.403 0.7919 571 17 0.2701 0.3279 0.3819 572 17 0.3387 0.2755 0.7153 573 17 0.6721 0.9421 0.3819 574 17 0.7245 0.0633 0.7153 575 18 0.0567 0.3263 0.3817 576 18 0.3403 0.0637 0.7151 577 18 0.6737 0.7303 0.3817 578 18 0.9363 0.2766 0.7151 579 19 0.7909 0.209 0.5371 580 19 0.4576 0.9152 0.8705 581 19 0.791 0.5818 0.5371 582 19 0.0848 0.5424 0.8705 583 20 0.4585 0.916 0.3702 584 20 0.7506 0.8758 0.7036 585 20 0.084 0.5424 0.3702 586 20 0.1242 0.8748 0.7036 587 21 0.3905 0.9935 0.5474 588 21 0.6731 0.7303 0.8808 589 21 0.0065 0.3969 0.5474 590 21 0.2697 0.9428 0.8808 591 22 0.6019 0.9949 0.5478 592 22 0.6717 0.9403 0.8812 593 22 0.0051 0.6069 0.5478 594 22 0.0597 0.7314 0.8812 595 23 0.4882 0.9782 0.4422 596 23 0.6884 0.8433 0.7756 597 23 0.0218 0.5099 0.4422 598 23 0.1567 0.8451 0.7756 599 24 0.5105 0.025 0.6515 600 24 0.6416 0.8188 0.9849 601 24 0.975 0.4854 0.6515 602 24 0.1812 0.8228 0.9849 603 25 0.1836 0.8176 0.4851 604 25 0.849 0.6993 0.8185 605 25 0.1824 0.3659 0.4851 606 25 0.3007 0.1497 0.8185 607 26 0.5619 0.9477 0.3867 608 26 0.7189 0.9475 0.7201 609 26 0.0523 0.6141 0.3867 610 26 0.0525 0.7715 0.7201 611 27 0.3855 0.9458 0.3867 612 27 0.7208 0.773 0.7201 613 27 0.0542 0.4396 0.3867 614 27 0.227 0.9478 0.7201 615 28 0.9629 0.2604 0.6422 616 28 0.4062 0.0358 0.9756 617 28 0.7396 0.7024 0.6422 618 28 0.9642 0.3704 0.9756 619 29 0.7438 0.0416 0.6425 620 29 0.625 0.0355 0.9759 621 29 0.9584 0.7021 0.6425 622 29 0.9645 0.5895 0.9759 623 30 0.8952 0.3033 0.4371 624 30 0.3633 0.9252 0.7705 625 30 0.6967 0.5918 0.4371 626 30 0.0748 0.4381 0.7705 627 31 0.6952 0.1076 0.4372 628 31 0.559 0.9209 0.7706 629 31 0.8924 0.5875 0.4372 630 31 0.0791 0.6381 0.7706 631 32 0.5105 0.0222 0.5564 632 32 0.6444 0.8216 0.8898 633 32 0.9778 0.4882 0.5564 634 32 0.1784 0.8228 0.8898 635 33 0.9691 0.2325 0.3965 636 33 0.4341 0.0699 0.7299 637 33 0.7675 0.7365 0.3965 638 33 0.9301 0.3642 0.7299 639 34 0.7709 0.0305 0.3969 640 34 0.6361 0.0737 0.7303 641 34 0.9695 0.7403 0.3969 642 34 0.9263 0.5624 0.7303 643 35 0.7276 0.2767 0.5384 644 35 0.3899 0.7842 0.8718 645 35 0.7233 0.4508 0.5384 646 35 0.2158 0.6057 0.8718 647 36 0.2387 0.7646 0.5997 648 36 0.902 0.8074 0.9331 649 36 0.2354 0.474 0.5997 650 36 0.1926 0.0946 0.9331 651 37 0.9054 0.0989 0.4346 652 37 0.5677 0.1398 0.768 653 37 0.9011 0.8064 0.4346 654 37 0.8602 0.4279 0.768 655 38 0.6196 0.0347 0.4771 656 38 0.6319 0.9182 0.8105 657 38 0.9653 0.5848 0.4771 658 38 0.0818 0.7138 0.8105 659 39 0.4127 0.0326 0.477 660 39 0.634 0.7134 0.8104 661 39 0.9674 0.38 0.477 662 39 0.2866 0.9206 0.8104 663 40 0.5637 0.781 0.6436 664 40 0.8856 0.116 0.977 665 40 0.219 0.7826 0.6436 666 40 0.884 0.7696 0.977 667 41 0.9391 0.0618 0.5387 668 41 0.6048 0.2106 0.8721 669 41 0.9382 0.8772 0.5387 670 41 0.7894 0.3942 0.8721 671 42 0.2582 0.298 0.3557 672 42 0.3686 0.2935 0.6891 673 42 0.702 0.9601 0.3557 674 42 0.7065 0.0751 0.6891 675 43 0.0353 0.2982 0.3562 676 43 0.3684 0.0704 0.6896 677 43 0.7018 0.737 0.3562 678 43 0.9296 0.298 0.6896 679 44 0.5872 0.9667 0.5216 680 44 0.6999 0.9538 0.855 681 44 0.0333 0.6204 0.5216 682 44 0.0462 0.7462 0.855 683 45 0.3798 0.9699 0.5217 684 45 0.6967 0.7432 0.8551 685 45 0.0301 0.4098 0.5217 686 45 0.2568 0.9535 0.8551 687 46 0.6041 0.2101 0.3728 688 46 0.4565 0.7273 0.7062 689 46 0.7899 0.3939 0.3728 690 46 0.2727 0.7292 0.7062 691 47 0.3936 0.791 0.6268 692 47 0.8756 0.9359 0.9602 693 47 0.209 0.6025 0.6268 694 47 0.0641 0.9397 0.9602 695 48 0.9032 0.2761 0.5522 696 48 0.3905 0.9604 0.8856 697 48 0.7239 0.627 0.5522 698 48 0.0396 0.4301 0.8856 699 49 0.7206 0.1001 0.5521 700 49 0.5665 0.9538 0.8855 701 49 0.8999 0.6204 0.5521 702 49 0.0462 0.6127 0.8855 703 50 0.179 0.8266 0.3897 704 50 0.84 0.6857 0.7231 705 50 0.1734 0.3523 0.3897 706 50 0.3143 0.1543 0.7231 707 51 0.8763 0.9368 0.4606 708 51 0.7298 0.2728 0.794 709 51 0.0632 0.9394 0.4606 710 51 0.7272 0.4571 0.794 711 52 0.7618 0.2409 0.3987 712 52 0.4257 0.8542 0.7321 713 52 0.7591 0.5208 0.3987 714 52 0.1458 0.5715 0.7321 715 53 0.2324 0.2649 0.6016 716 53 0.4017 0.3008 0.935 717 53 0.7351 0.9674 0.6016 718 53 0.6992 0.1009 0.935 719 54 0.7314 0.7656 0.6015 720 54 0.901 0.2991 0.9349 721 54 0.2344 0.9657 0.6015 722 54 0.7009 0.6019 0.9349 723 55 0.8287 0.1775 0.6072 724 55 0.4891 0.9845 0.9406 725 55 0.8225 0.6511 0.6072 726 55 0.0155 0.5046 0.9406 727 56 0.5926 0.8952 0.5621 728 56 0.7714 0.0307 0.8955 729 56 0.1048 0.6973 0.5621 730 56 0.9693 0.7408 0.8955 731 57 0.3021 0.8975 0.562 732 57 0.7691 0.7379 0.8954 733 57 0.1025 0.4045 0.562 734 57 0.2621 0.0312 0.8954 735 58 0.3914 0.7865 0.3666 736 58 0.8801 0.9382 0.7 737 58 0.2135 0.6048 0.3666 738 58 0.0618 0.942 0.7 739 59 0.7832 0.2198 0.3551 740 59 0.4468 0.8967 0.6885 741 59 0.7802 0.5633 0.3551 742 59 0.1033 0.5501 0.6885 743 60 0.8877 0.1132 0.4778 744 60 0.5534 0.1078 0.8112 745 60 0.8868 0.7744 0.4778 746 60 0.8922 0.4457 0.8112 747 61 0.1147 0.2302 0.5207 748 61 0.4364 0.2178 0.8541 749 61 0.7698 0.8844 0.5207 750 61 0.7822 0.2187 0.8541 751 62 0.6153 0.0541 0.6121 752 62 0.6125 0.8945 0.9455 753 62 0.9459 0.5611 0.6121 754 62 0.1055 0.7181 0.9455 755 63 0.4399 0.0567 0.6121 756 63 0.6099 0.7165 0.9455 757 63 0.9433 0.3831 0.6121 758 63 0.2835 0.8934 0.9455 759 64 0.2748 0.7296 0.4586 760 64 0.937 0.8785 0.792 761 64 0.2704 0.5451 0.4586 762 64 0.1215 0.0585 0.792 763 65 0.6162 0.8979 0.446 764 65 0.7687 0.0516 0.7794 765 65 0.1021 0.7182 0.446 766 65 0.9484 0.7171 0.7794 767 66 0.6229 0.7211 0.4459 768 66 0.9455 0.2351 0.7793 769 66 0.2789 0.9017 0.4459 770 66 0.7649 0.7105 0.7793 771 67 0.6044 0.2134 0.6329 772 67 0.4532 0.7243 0.9663 773 67 0.7866 0.3909 0.6329 774 67 0.2757 0.729 0.9663 775 68 0.8194 0.1829 0.5137 776 68 0.4837 0.9698 0.8471 777 68 0.8171 0.6364 0.5137 778 68 0.0302 0.5139 0.8471 779 69 0.8096 0.903 0.5646 780 69 0.7636 0.2399 0.898 781 69 0.097 0.9065 0.5646 782 69 0.7601 0.5238 0.898 783 70 0.4831 0.9732 0.3477 784 70 0.6934 0.8432 0.6811 785 70 0.0268 0.5098 0.3477 786 70 0.1568 0.8502 0.6811 787 76 0.5027 0.008 0.4996 788 76 0.6586 0.828 0.833 789 76 0.992 0.4946 0.4996 790 76 0.172 0.8306 0.833 791 77 0.4746 0.9494 0.4977 792 77 0.7172 0.8585 0.8311 793 77 0.0506 0.5251 0.4977 794 77 0.1415 0.8587 0.8311 795 78 0.1175 0.2362 0.6366 796 78 0.4304 0.2146 0.97 797 78 0.7638 0.8812 0.6366 798 78 0.7854 0.2159 0.97 799 79 0.5572 0.1128 0.4093 800 79 0.5538 0.7777 0.7427 801 79 0.8872 0.4443 0.4093 802 79 0.2223 0.7761 0.7427 803 80 0.8824 0.119 0.3614 804 80 0.5476 0.0967 0.6948 805 80 0.881 0.7633 0.3614 806 80 0.9033 0.4509 0.6948 807 81 0.788 0.8942 0.4222 808 81 0.7724 0.2271 0.7556 809 81 0.1058 0.8937 0.4222 810 81 0.7729 0.5454 0.7556 811 82 0.0839 0.1646 0.415 812 82 0.502 0.2526 0.7484 813 82 0.8354 0.9192 0.415 814 82 0.7474 0.2494 0.7484 815 83 0.536 0.7674 0.5236 816 83 0.8992 0.1019 0.857 817 83 0.2326 0.7685 0.5236 818 83 0.8981 0.7974 0.857 819 84 0.8878 0.1131 0.5758 820 84 0.5535 0.108 0.9092 821 84 0.8869 0.7746 0.5758 822 84 0.892 0.4455 0.9092 823 85 0.4207 0.8422 0.583 824 85 0.8244 0.9118 0.9164 825 85 0.1578 0.5784 0.583 826 85 0.0882 0.9126 0.9164 827 86 0.7367 0.2373 0.5819 828 86 0.4293 0.8327 0.9153 829 86 0.7627 0.4993 0.5819 830 86 0.1673 0.5967 0.9153 831 87 0.6377 0.1773 0.5803 832 87 0.4893 0.7937 0.9137 833 87 0.8227 0.4603 0.5803 834 87 0.2063 0.6956 0.9137 835 88 0.5477 0.1793 0.5782 836 88 0.4873 0.7017 0.9116 837 88 0.8207 0.3683 0.5782 838 88 0.2983 0.7857 0.9116 839 89 0.4198 0.8301 0.4194 840 89 0.8365 0.923 0.7528 841 89 0.1699 0.5896 0.4194 842 89 0.077 0.9135 0.7528 843 90 0.4767 0.8123 0.4164 844 90 0.8543 0.9977 0.7498 845 90 0.1877 0.6643 0.4164 846 90 0.0023 0.8566 0.7498 847 91 0.7576 0.2407 0.4772 848 91 0.4259 0.8502 0.8106 849 91 0.7593 0.5168 0.4772 850 91 0.1498 0.5757 0.8106 851 92 0.7756 0.2279 0.4738 852 92 0.4387 0.881 0.8072 853 92 0.7721 0.5476 0.4738 854 92 0.119 0.5577 0.8072 855 93 0.1677 0.3403 0.3358 856 93 0.3263 0.1607 0.6692 857 93 0.6597 0.8273 0.3358 858 93 0.8393 0.1656 0.6692 859 94 0.5453 0.7729 0.3351 860 94 0.8937 0.1057 0.6685 861 94 0.2271 0.7723 0.3351 862 94 0.8943 0.7881 0.6685 863 95 0.1105 0.2186 0.3302 864 95 0.448 0.2252 0.6636 865 95 0.7814 0.8918 0.3302 866 95 0.7748 0.2229 0.6636 867 98 0.3917 0.7773 0.4972 868 98 0.8893 0.9477 0.8306 869 98 0.2227 0.6143 0.4972 870 98 0.0523 0.9416 0.8306 X-ray density (g/cm cub.) = 2.79 MU (1/cm) = 223.665 Mass attenuation coefficient (cm**2/g) = 80.066 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Zr 3.156 6 2.1038 30 2.1276 31 2.0625 33 2.0572 34 2.0671 37 2.0759 52 2 Zr 3.156 6 2.0672 53 2.0481 36 2.0426 54 2.0432 56 2.0359 57 2.0493 69 3 Ca 3.42 6 2.3214 61 2.4382 25 2.3957 38 2.3962 44 2.3044 60 2.4158 68 4 Ca 3.42 6 2.4269 25 2.3856 39 2.3849 45 2.2879 60 2.3068 61 2.3901 68 5 Ca 3.42 6 2.3229 43 2.3404 59 2.366 70 2.3563 24 2.3367 28 2.3219 40 6 Ca 3.42 6 2.3606 59 2.4525 70 2.3555 42 2.3943 24 2.3838 29 2.3469 40 7 Si 2.64 4 1.6588 23 1.5778 39 1.5658 30 1.6429 66 8 Si 2.64 4 1.646 23 1.5857 31 1.6162 38 1.6375 65 9 Si 2.64 4 1.5953 24 1.6238 62 1.6313 63 1.6262 67 10 Si 2.64 4 1.5446 28 1.6293 55 1.6057 54 1.662 63 11 Si 2.64 4 1.5768 29 1.6977 55 1.6473 62 1.6149 53 12 Si 2.64 4 1.6244 40 1.6737 47 1.6332 36 1.6051 47 13 Si 2.64 4 1.6729 46 1.5925 52 1.5774 59 1.6376 46 14 Si 2.64 4 1.6534 41 1.6056 69 1.6346 41 1.6077 61 15 Si 2.64 4 1.6383 65 1.661 66 1.5673 25 1.5989 64 16 Si 2.64 4 1.592 37 1.6676 51 1.5724 60 1.6211 51 17 Si 2.64 4 1.6339 42 1.6365 26 1.6195 34 1.6492 50 18 Si 2.64 4 1.5753 33 1.5904 43 1.6595 27 1.5871 50 19 Si 2.64 4 1.6176 35 1.6682 48 1.6383 49 1.5727 68 20 Si 2.64 4 1.6465 26 1.6449 27 1.6122 58 1.5389 70 21 Si 2.64 4 1.6392 32 1.5878 45 1.587 57 1.6361 48 22 Si 2.64 4 1.6197 32 1.6288 44 1.6239 49 1.6122 56 23 O 3.804 10 3.6204 26 3.6108 27 2.5969 31 2.6712 38 2.6562 39 3.464 64 2.6012 65 2.5878 30 3.5337 64 2.6217 66 24 O 3.804 9 3.2565 29 3.2522 47 2.7397 62 2.7192 63 2.5833 67 3.172 28 3.3387 43 2.7452 59 3.3921 42 25 O 3.804 12 3.2045 39 3.3749 45 2.7338 64 3.369 98 3.7337 99 3.2531 38 3.3719 44 3.3369 51 2.734 61 2.7105 65 2.7052 66 3.2926 98 26 O 3.804 10 3.6204 23 2.4983 27 3.7245 31 2.6686 34 3.5761 46 3.7655 52 2.6609 58 2.7218 70 2.6838 42 2.6428 50 27 O 3.804 10 3.6108 23 2.4983 26 3.5847 46 2.563 50 2.614 58 2.6742 70 3.7239 30 2.6354 33 2.6487 43 3.7537 52 28 O 3.804 8 3.1177 29 2.7033 55 3.172 24 3.2149 40 2.653 54 2.6382 63 3.0045 43 3.3654 70 29 O 3.804 8 3.2565 24 3.1177 28 3.2915 40 2.7318 55 2.6672 62 2.6778 53 3.4568 70 2.9577 42 30 O 3.804 10 2.8177 31 3.0437 33 2.9896 37 2.8546 52 3.6276 60 3.6197 104 2.5878 23 3.7239 27 2.6455 39 2.5911 66 31 O 3.804 10 2.5969 23 3.7245 26 2.8177 30 3.0888 34 3.0609 37 2.6441 38 2.8582 52 3.658 60 2.6661 65 3.5678 104 32 O 3.804 10 3.561 35 2.6734 44 2.6596 45 2.6325 49 2.6212 56 2.6086 57 3.633 62 3.6317 63 3.4967 35 2.6658 48 33 O 3.804 11 3.0437 30 2.8497 34 2.8408 37 2.6215 43 3.0163 52 3.5893 59 3.636 102 3.7023 107 2.6354 27 2.5651 50 3.5828 66 34 O 3.804 11 2.6686 26 3.0888 31 2.8497 33 2.8273 37 3.0647 52 3.6426 59 3.6263 65 3.5811 102 3.6605 107 2.6917 42 2.6334 50 35 O 3.804 8 3.561 32 2.6412 48 2.6029 49 2.7365 68 2.6739 100 3.4967 32 2.5103 35 2.5103 35 36 O 3.804 9 2.6241 47 2.816 57 3.7627 63 2.7065 40 2.6905 47 2.9586 53 2.8967 54 2.8181 56 3.777 62 37 O 3.804 10 2.9896 30 3.0609 31 2.8408 33 2.8273 34 2.6526 51 2.6533 60 3.7205 65 2.8392 102 2.5925 51 3.5813 66 38 O 3.804 9 2.6712 23 2.6441 31 2.9312 39 2.8298 44 3.3996 60 2.6963 65 3.3888 68 3.6824 98 3.2531 25 39 O 3.804 9 2.6562 23 3.2045 25 2.9312 38 2.8228 45 3.7044 98 2.6455 30 3.3781 60 2.6684 66 3.3721 68 40 O 3.804 8 3.2915 29 2.6968 47 3.5793 54 3.2149 28 2.7065 36 2.6343 47 3.6096 53 2.7803 70 41 O 3.804 10 3.4358 48 3.5123 49 2.6835 61 3.3351 68 2.6111 69 3.8008 101 2.6221 41 2.6221 41 2.7015 61 2.5757 69 42 O 3.804 8 3.1754 43 2.6838 26 2.6917 34 2.6933 50 3.2767 59 3.2506 70 3.3923 24 2.9583 29 43 O 3.804 8 2.6215 33 3.1754 42 3.1826 59 2.6487 27 2.6616 50 3.1184 70 3.3391 24 3.0052 28 44 O 3.804 9 2.6734 32 2.8298 38 2.9762 45 2.6532 49 2.6778 56 3.2343 68 3.1162 98 3.3719 25 3.344 61 45 O 3.804 9 3.3749 25 2.6596 32 2.8228 39 2.9762 44 2.6715 57 3.1982 98 2.623 48 3.3281 61 3.1594 68 46 O 3.804 9 3.5761 26 3.5847 27 2.5931 52 2.7067 59 3.2953 70 2.6314 46 2.6314 46 2.5513 52 2.6597 59 47 O 3.804 9 3.2522 24 2.6241 36 2.6968 40 3.6015 62 3.6126 63 2.6905 36 2.6343 40 2.6568 47 2.6568 47 48 O 3.804 10 2.6412 35 3.4358 41 2.5544 49 3.5728 55 2.6587 68 2.6658 32 2.623 45 3.5581 54 2.5615 57 3.5644 69 49 O 3.804 10 2.6325 32 2.6029 35 3.5123 41 2.6532 44 2.5544 48 3.6174 55 2.624 56 2.6738 68 3.6899 69 3.6112 53 50 O 3.804 10 2.563 27 3.6288 58 2.6428 26 2.5651 33 2.6334 34 2.6933 42 2.6616 43 3.706 58 3.6855 65 3.6463 66 51 O 3.804 10 2.6526 37 2.6493 60 3.5718 65 3.4881 66 3.4696 102 3.3369 25 2.5925 37 2.6428 51 2.6428 51 2.6089 60 52 O 3.804 9 3.7655 26 2.8546 30 2.8582 31 3.0163 33 3.0647 34 2.5931 46 2.6993 59 3.7537 27 2.5513 46 53 O 3.804 10 3.5782 101 2.6778 29 2.9586 36 3.6096 40 3.6112 49 2.8475 54 2.6181 55 2.9736 56 2.6355 62 2.8265 69 54 O 3.804 10 3.5793 40 2.8127 69 3.6216 101 2.653 28 2.8967 36 3.5581 48 2.8475 53 2.5641 55 2.9264 57 2.6201 63 55 O 3.804 9 2.7033 28 2.7318 29 3.5728 48 3.6174 49 2.6589 62 2.6181 53 2.5641 54 2.5582 63 3.7217 67 56 O 3.804 11 2.6212 32 2.6778 44 2.624 49 3.7032 62 3.0396 69 3.6953 103 3.5744 108 2.8181 36 2.9736 53 2.8303 57 3.6193 61 57 O 3.804 11 2.6086 32 2.816 36 2.6715 45 3.7147 63 3.7281 103 3.6091 108 2.5615 48 2.9264 54 2.8303 56 3.5934 61 2.9909 69 58 O 3.804 9 2.6609 26 2.614 27 3.6288 50 2.5726 70 2.7308 97 3.706 50 2.5607 58 2.5607 58 3.6443 105 59 O 3.804 8 3.5893 33 3.6426 34 3.1826 43 2.7067 46 2.6993 52 3.2767 42 2.6597 46 2.7457 24 60 O 3.804 8 3.6276 30 3.658 31 2.6533 37 3.3996 38 2.6493 51 2.7658 68 3.3781 39 2.6089 51 61 O 3.804 8 2.6835 41 2.734 25 2.7015 41 3.344 44 3.3281 45 3.6193 56 3.5934 57 2.7111 69 62 O 3.804 11 2.7397 24 2.6672 29 3.633 32 3.6015 47 2.6589 55 3.7032 56 2.5162 63 2.6678 67 3.7868 96 3.777 36 2.6355 53 63 O 3.804 11 2.7192 24 3.6317 32 3.7627 36 3.6126 47 3.7147 57 2.5162 62 2.6143 67 3.7591 96 2.6382 28 2.6201 54 2.5582 55 64 O 3.804 12 3.464 23 2.7338 25 3.6168 97 2.7563 98 2.5367 99 3.5337 23 2.5963 64 2.5963 64 2.5021 65 2.5418 66 2.7429 98 3.7013 98 65 O 3.804 10 2.6012 23 2.6661 31 3.6263 34 3.7205 37 2.6963 38 3.5718 51 2.5665 66 2.7105 25 3.6855 50 2.5021 64 66 O 3.804 10 3.4881 51 2.5665 65 2.6217 23 2.7052 25 2.5911 30 3.5828 33 3.5813 37 2.6684 39 3.6463 50 2.5418 64 67 O 3.804 8 2.5833 24 2.6678 62 2.6143 63 2.6648 96 3.7217 55 2.5615 67 2.5615 67 3.5827 106 68 O 3.804 9 2.7365 35 3.3888 38 3.3351 41 3.2343 44 2.6587 48 2.6738 49 2.7658 60 3.3721 39 3.1594 45 69 O 3.804 10 2.6111 41 3.6899 49 2.8127 54 3.0396 56 3.0297 101 2.5757 41 3.5644 48 2.8265 53 2.9909 57 2.7111 61 70 O 3.804 9 2.7218 26 2.6742 27 3.2953 46 2.5726 58 3.2506 42 3.1184 43 3.4573 29 2.7808 40 3.3656 28 71 Si 2.64 4 1.6035 35 1.5608 100 1.6035 35 1.6036 35 72 Si 2.64 4 1.6178 67 1.5608 96 1.6177 67 1.6178 67 73 Si 2.64 4 1.6177 58 1.6398 97 1.6167 58 1.6177 58 74 Si ,Si 2.64 7 1.6015 64 2.2432 98 1.4819 99 1.6015 64 1.6025 64 2.2425 98 2.2432 98 75 Ti ,Ti 3.108 7 1.813 64 1.9022 98 1.0264 99 1.8129 64 1.8139 64 1.9014 98 1.9021 98 76 Fe ,Fe 3.132 5 2.0371 38 2.0243 39 2.0703 44 2.0515 45 2.8492 98 77 Mn ,Mn 3.264 5 2.1899 38 2.192 39 2.084 44 2.1038 45 2.1229 98 78 Na 3.348 7 2.4164 28 2.5872 53 2.9581 105 2.4649 29 2.5037 40 2.5898 54 2.8347 70 79 Na 3.348 8 2.5977 23 2.7518 26 2.7753 27 2.6236 31 2.5208 46 2.6296 52 2.669 30 2.6114 52 80 Na 3.348 8 2.5855 33 2.5993 34 2.4073 43 2.4958 59 2.96 106 3.1147 107 2.4548 42 2.7708 24 81 Na ,Na 3.348 9 2.5806 34 2.6429 37 2.5739 51 2.8645 65 2.807 66 2.7303 102 2.6283 33 2.5954 37 2.6252 50 82 Na ,Na 3.348 8 2.5396 33 2.5248 37 2.0592 102 2.9701 107 2.4533 34 2.5312 37 2.7789 50 2.8153 51 83 Na 3.348 11 2.5555 44 2.8216 56 2.665 98 3.1403 99 2.7455 103 2.9598 108 2.6326 25 2.5729 45 2.8239 57 2.8883 61 2.7268 98 84 Na 3.348 9 2.5841 41 2.642 48 2.708 49 2.4408 55 2.7058 69 3.0406 101 2.6413 53 2.6591 54 2.6511 69 85 Na 3.348 8 2.7453 32 2.4702 36 2.7341 47 2.5149 56 2.5354 57 3.2862 103 2.9629 108 2.5161 36 86 Na ,Na 3.348 7 2.7173 35 2.8053 48 2.5878 49 2.4326 55 2.9407 62 2.2361 96 3.1969 63 87 Na ,Na 3.348 8 2.5029 32 2.882 35 2.6139 49 3.1714 55 2.5198 62 3.1265 63 3.3073 67 2.2679 96 88 Na ,Na 3.348 8 2.4192 32 3.2826 35 3.1717 62 2.6387 63 2.2772 96 2.7517 35 2.672 48 3.2872 55 89 Na ,Na 3.348 9 2.2933 23 2.7302 26 2.7751 27 3.2528 58 3.004 64 2.9432 65 2.2135 97 2.9825 64 3.1146 66 90 Na ,Na 3.348 8 2.7705 23 2.4705 26 3.3199 27 3.2112 58 2.4984 65 2.1837 97 2.876 50 2.7961 64 91 Na ,Na 3.348 8 2.9695 30 2.9324 31 2.5887 38 3.1768 60 2.6627 68 2.6982 100 2.6949 104 2.633 39 92 Na ,Na 3.348 8 2.6819 30 2.6879 31 2.536 38 2.8073 60 2.6592 68 3.1295 100 2.9265 104 2.5043 39 93 Na ,Na 3.348 5 2.064 42 2.0781 43 3.2769 50 2.2845 28 2.277 29 94 Na ,Na 3.348 7 2.9873 58 2.7751 42 2.8298 43 2.9498 58 2.4891 28 2.4344 29 2.9735 105 95 Na ,Na 3.348 7 2.3921 42 2.4776 43 3.0389 106 2.9695 67 2.7755 28 2.7105 29 3.0076 67 96 OH 3.852 12 3.809 35 3.7868 62 3.7591 63 2.6648 67 3.809 35 3.809 35 3.7867 62 3.7869 62 3.759 63 3.7591 63 2.6647 67 2.6648 67 97 OH 3.852 12 3.8397 26 3.8155 27 2.7308 58 3.6168 64 3.8384 26 3.8392 26 3.8147 27 3.8159 27 2.7302 58 2.7308 58 3.6168 64 3.6173 64 98 OH ,OH 3.852 14 3.369 25 3.6824 38 3.7044 39 3.1162 44 3.1982 45 2.7563 64 1.3978 99 3.0607 103 3.4687 108 3.2926 25 3.7013 64 2.7429 64 2.3649 98 2.3649 98 99 OH ,OH 3.852 11 3.7337 25 2.5367 64 1.3978 98 3.0367 103 3.4861 108 3.7337 25 3.7348 25 2.5367 64 2.5373 64 1.3967 98 1.3978 98 100 OH 3.852 7 2.6739 35 3.8116 68 2.9334 104 2.6739 35 2.674 35 3.8116 68 3.8117 68 101 H(2)O 3.972 13 3.8008 41 3.5782 53 3.6216 54 3.0297 69 2.9759 105 3.8008 41 3.8002 41 3.5797 53 3.5788 53 3.62 54 3.6207 54 3.0286 69 3.0286 69 102 H(2)O,H(2)O 3.972 14 3.636 33 3.5811 34 2.8392 37 3.4696 51 3.401 106 1.822 107 3.6366 33 3.6351 33 3.5804 34 3.5795 34 2.8393 37 2.8381 37 3.469 51 3.469 51 103 H(2)O,H(2)O 3.972 11 3.6953 56 3.7281 57 3.0607 98 3.0367 99 0.4494 108 3.6941 56 3.6946 56 3.7276 57 3.7289 57 3.0602 98 3.0607 98 104 H(2)O,H(2)O 3.972 7 3.6197 30 3.5678 31 2.9334 100 3.6198 30 3.6199 30 3.5678 31 3.5679 31 105 Cl 4.344 10 4.003 28 3.982 29 2.9759 101 4.0036 28 4.002 28 3.9814 29 3.9804 29 3.6437 58 3.6433 58 3.6433 58 106 Cl ,Cl 4.344 11 3.9923 42 4.0228 43 3.401 102 1.5791 107 3.9938 42 3.9929 42 4.0238 43 4.0222 43 3.5834 67 3.5833 67 3.5829 67 107 Cl ,Cl 4.344 17 3.7023 33 3.6605 34 4.1207 37 4.2393 42 4.2568 43 1.822 102 1.5791 106 3.7029 33 3.7014 33 3.6599 34 3.659 34 4.1207 37 4.1199 37 4.2407 42 4.2398 42 4.2577 43 4.2562 43 108 Cl ,Cl 4.344 17 3.8552 36 4.3352 44 3.5744 56 3.6091 57 3.4687 98 3.4861 99 0.4494 103 3.8552 36 3.8559 36 4.334 44 4.3347 44 3.5732 56 3.5737 56 3.6086 57 3.6098 57 3.4682 98 3.4687 98 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 0 3 2.532 5.065 0.025 1021.51 2 143.3 36.9 2 1 0 1 4.245 8.489 0.041 362.09 6 55.6 5.9 3 1 0 -2 4.49 8.98 0.044 323.33 6 200.7 68.7 4 0 0 6 5.07 10.139 0.049 253.15 2 259.1 29.9 5 1 0 4 5.362 10.724 0.052 226.07 6 98.0 11.5 6 1 0 -5 5.933 11.866 0.058 184.22 6 48.0 2.2 7 1 1 0 7.217 14.435 0.07 123.75 6 636.5 264.5 8 1 0 7 7.242 14.483 0.07 122.91 6 51.8 1.7 9 0 0 9 7.617 15.234 0.074 110.88 2 154.7 4.7 10 1 1 -3 7.653 15.307 0.074 109.81 6 40.3 0.9 11 1 1 3 7.653 15.307 0.074 109.81 6 38.9 0.9 12 1 0 -8 7.953 15.906 0.077 101.53 6 480.3 123.6 13 2 0 -1 8.385 16.769 0.082 91.12 6 165.7 13.2 14 2 0 2 8.513 17.026 0.083 88.33 6 397.8 73.7 15 1 1 -6 8.836 17.671 0.086 81.84 6 11.6 0.1 16 1 1 6 8.836 17.671 0.086 81.84 6 17.0 0.1 17 2 0 -4 9.008 18.016 0.088 78.65 6 731.0 221.8 18 2 0 5 9.363 18.726 0.091 72.64 6 156.4 9.4 19 1 0 10 9.449 18.898 0.092 71.28 6 281.6 29.8 20 0 0 12 10.18 20.359 0.099 61.12 2 510.3 28.0 21 1 0 -11 10.224 20.449 0.099 60.57 6 125.8 5.1 22 2 0 -7 10.252 20.503 0.099 60.23 6 83.3 2.2 23 1 1 -9 10.523 21.046 0.102 57.06 6 10.4 0.0 24 1 1 9 10.523 21.046 0.102 57.06 6 11.5 0.0 25 2 0 8 10.771 21.543 0.104 54.36 6 221.1 14.0 26 1 2 -1 11.097 22.195 0.108 51.09 6 51.2 0.7 27 2 1 1 11.097 22.195 0.108 51.09 6 57.9 0.9 28 1 2 2 11.196 22.391 0.109 50.16 6 158.9 6.7 29 2 1 -2 11.196 22.391 0.109 50.16 6 159.2 6.7 30 1 2 -4 11.581 23.162 0.112 46.74 6 140.4 4.9 31 2 1 4 11.581 23.162 0.112 46.74 6 141.7 5.0 32 1 0 13 11.814 23.629 0.114 44.83 6 90.0 1.9 33 1 2 5 11.862 23.724 0.115 44.45 6 41.3 0.4 34 2 1 -5 11.862 23.724 0.115 44.45 6 42.2 0.4 35 2 0 -10 11.931 23.861 0.116 43.92 6 1095.7 278.2 36 1 1 -12 12.523 25.047 0.121 39.67 6 433.3 39.3 37 1 1 12 12.523 25.047 0.121 39.67 6 435.9 39.8 38 2 0 11 12.56 25.12 0.122 39.42 6 56.9 0.7 39 3 0 0 12.568 25.137 0.122 39.37 6 343.4 24.5 40 1 2 -7 12.583 25.165 0.122 39.28 6 44.4 0.4 41 2 1 7 12.583 25.165 0.122 39.28 6 54.5 0.6 42 1 0 -14 12.625 25.251 0.122 39.0 6 341.5 24.0 43 0 0 15 12.763 25.526 0.123 38.12 2 181.6 2.2 44 3 0 -3 12.829 25.659 0.124 37.7 6 96.6 1.9 45 3 0 3 12.829 25.659 0.124 37.7 6 56.0 0.6 46 1 2 8 13.014 26.028 0.126 36.58 6 454.6 39.9 47 2 1 -8 13.014 26.028 0.126 36.58 6 452.3 39.5 48 3 0 -6 13.584 27.167 0.131 33.41 6 930.8 152.7 49 3 0 6 13.584 27.167 0.131 33.41 6 221.6 8.7 50 2 0 -13 13.899 27.798 0.134 31.82 6 191.1 6.1 51 1 2 -10 13.999 27.999 0.135 31.34 6 318.1 16.7 52 2 1 10 13.999 27.999 0.135 31.34 6 310.7 16.0 53 1 0 16 14.274 28.548 0.138 30.07 6 594.5 56.1 54 1 2 11 14.545 29.091 0.14 28.89 6 147.8 3.3 55 2 1 -11 14.545 29.091 0.14 28.89 6 160.1 3.9 56 2 2 0 14.553 29.105 0.14 28.86 6 899.2 123.1 57 2 0 14 14.602 29.205 0.141 28.65 6 709.7 76.1 58 1 1 -15 14.723 29.445 0.142 28.15 6 75.1 0.8 59 1 1 15 14.723 29.445 0.142 28.15 6 75.7 0.9 60 3 0 -9 14.762 29.523 0.142 27.99 6 97.0 1.4 61 3 0 9 14.762 29.523 0.142 27.99 6 45.9 0.3 62 2 2 -3 14.781 29.562 0.143 27.91 6 98.3 1.4 63 2 2 3 14.781 29.562 0.143 27.91 6 92.4 1.3 64 1 0 -17 15.11 30.219 0.146 26.63 6 121.9 2.1 65 1 3 1 15.186 30.371 0.146 26.34 6 14.9 0.0 66 3 1 -1 15.186 30.371 0.146 26.34 6 19.5 0.1 67 1 3 -2 15.259 30.518 0.147 26.07 6 747.1 76.8 68 3 1 2 15.259 30.518 0.147 26.07 6 737.0 74.7 69 0 0 18 15.373 30.746 0.148 25.66 2 206.2 1.9 70 2 2 -6 15.448 30.895 0.149 25.39 6 295.4 11.7 71 2 2 6 15.448 30.895 0.149 25.39 6 301.0 12.1 72 1 3 4 15.55 31.101 0.15 25.03 6 502.5 33.3 73 3 1 -4 15.55 31.101 0.15 25.03 6 504.3 33.6 74 1 2 -13 15.729 31.458 0.152 24.42 6 169.3 3.7 75 2 1 13 15.729 31.458 0.152 24.42 6 161.4 3.4 76 1 3 -5 15.765 31.531 0.152 24.3 6 179.1 4.1 77 3 1 5 15.765 31.531 0.152 24.3 6 191.0 4.7 78 2 0 -16 16.065 32.129 0.155 23.34 6 997.4 122.5 79 3 0 -12 16.28 32.56 0.157 22.67 6 405.3 19.7 80 3 0 12 16.28 32.56 0.157 22.67 6 664.8 52.9 81 1 3 7 16.327 32.654 0.157 22.53 6 138.8 2.3 82 3 1 -7 16.327 32.654 0.157 22.53 6 149.4 2.7 83 1 2 14 16.36 32.721 0.157 22.43 6 504.9 30.2 84 2 1 -14 16.36 32.721 0.157 22.43 6 496.7 29.2 85 2 2 -9 16.504 33.009 0.159 22.01 6 162.9 3.1 86 2 2 9 16.504 33.009 0.159 22.01 6 166.3 3.2 87 1 3 -8 16.669 33.338 0.16 21.54 6 158.8 2.9 88 3 1 8 16.669 33.338 0.16 21.54 6 158.7 2.9 89 1 0 19 16.803 33.605 0.162 21.17 6 49.4 0.3 90 2 0 17 16.82 33.64 0.162 21.12 6 169.3 3.2 91 4 0 1 16.889 33.778 0.162 20.94 6 195.9 4.2 92 4 0 -2 16.956 33.912 0.163 20.76 6 203.5 4.5 93 1 1 -18 17.059 34.119 0.164 20.48 6 622.9 41.9 94 1 1 18 17.059 34.119 0.164 20.48 6 621.7 41.8 95 4 0 4 17.221 34.443 0.165 20.07 6 405.9 17.4 96 4 0 -5 17.418 34.836 0.167 19.58 6 249.6 6.4 97 1 3 10 17.466 34.933 0.168 19.46 6 1361.7 190.4 98 3 1 -10 17.466 34.933 0.168 19.46 6 1358.2 189.4 99 1 0 -20 17.659 35.318 0.17 19.0 6 158.0 2.5 100 1 2 -16 17.692 35.385 0.17 18.92 6 528.8 27.9 101 2 1 16 17.692 35.385 0.17 18.92 6 523.4 27.3 102 2 2 -12 17.891 35.781 0.172 18.46 6 530.4 27.4 103 2 2 12 17.891 35.781 0.172 18.46 6 532.7 27.6 104 1 3 -11 17.917 35.834 0.172 18.4 6 253.0 6.2 105 3 1 11 17.917 35.834 0.172 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229 4 1 -15 23.523 47.046 0.223 10.03 6 163.2 1.4 230 4 1 15 23.523 47.046 0.223 10.03 6 36.6 0.1 231 3 3 -9 23.549 47.098 0.223 10.0 6 36.6 0.1 232 3 3 9 23.549 47.098 0.223 10.0 6 30.9 0.1 233 2 4 -8 23.672 47.344 0.224 9.88 6 49.5 0.1 234 4 2 8 23.672 47.344 0.224 9.88 6 62.6 0.2 235 4 0 19 23.772 47.544 0.225 9.79 6 234.7 2.8 236 2 3 17 23.785 47.57 0.225 9.78 6 92.0 0.4 237 3 2 -17 23.785 47.57 0.225 9.78 6 92.0 0.4 238 1 5 -1 23.837 47.673 0.226 9.73 6 83.3 0.4 239 5 1 1 23.837 47.673 0.226 9.73 6 71.7 0.3 240 1 5 2 23.887 47.774 0.226 9.68 6 329.1 5.5 241 5 1 -2 23.887 47.774 0.226 9.68 6 343.0 6.0 242 1 5 -4 24.088 48.175 0.228 9.5 6 540.7 14.7 243 5 1 4 24.088 48.175 0.228 9.5 6 542.6 14.8 244 2 0 26 24.172 48.344 0.229 9.42 6 77.7 0.3 245 5 0 -13 24.212 48.424 0.229 9.39 6 382.9 7.3 246 1 5 5 24.237 48.475 0.229 9.37 6 7.3 0.0 247 5 1 -5 24.237 48.475 0.229 9.37 6 3.4 0.0 248 2 4 10 24.274 48.549 0.23 9.34 6 624.4 19.2 249 4 2 -10 24.274 48.549 0.23 9.34 6 636.7 20.0 250 4 0 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55.069 0.258 7.01 6 34.0 0.0 356 2 3 23 27.605 55.209 0.259 6.97 6 12.1 0.0 357 3 2 -23 27.605 55.209 0.259 6.97 6 20.3 0.0 358 1 3 -26 27.627 55.254 0.259 6.95 6 357.9 4.7 359 3 1 26 27.627 55.254 0.259 6.95 6 359.4 4.7 360 3 4 -10 27.72 55.44 0.26 6.9 6 249.6 2.3 361 4 3 10 27.72 55.44 0.26 6.9 6 248.8 2.3 362 5 0 20 27.854 55.708 0.261 6.83 6 165.4 1.0 363 1 5 -16 27.877 55.755 0.261 6.81 6 153.8 0.8 364 5 1 16 27.877 55.755 0.261 6.81 6 152.3 0.8 365 1 2 29 27.92 55.84 0.262 6.79 6 52.4 0.1 366 2 1 -29 27.92 55.84 0.262 6.79 6 54.7 0.1 367 4 0 25 27.955 55.909 0.262 6.77 6 122.3 0.5 368 6 0 -12 28.017 56.033 0.263 6.74 6 969.1 33.4 369 6 0 12 28.017 56.033 0.263 6.74 6 677.6 16.3 370 3 4 11 28.036 56.071 0.263 6.73 6 56.1 0.1 371 4 3 -11 28.036 56.071 0.263 6.73 6 43.2 0.1 372 2 2 -27 28.059 56.119 0.263 6.71 6 162.0 0.9 373 2 2 27 28.059 56.119 0.263 6.71 6 168.3 1.0 374 2 5 -9 28.163 56.326 0.264 6.66 6 67.0 0.2 375 2 5 9 28.163 56.326 0.264 6.66 6 44.4 0.1 376 5 2 -9 28.163 56.326 0.264 6.66 6 44.9 0.1 377 5 2 9 28.163 56.326 0.264 6.66 6 79.5 0.2 378 2 4 19 28.359 56.718 0.266 6.55 6 209.0 1.5 379 4 2 -19 28.359 56.718 0.266 6.55 6 209.0 1.5 380 1 5 17 28.371 56.741 0.266 6.55 6 100.6 0.3 381 5 1 -17 28.371 56.741 0.266 6.55 6 106.4 0.4 382 1 6 1 28.416 56.833 0.266 6.52 6 45.6 0.1 383 6 1 -1 28.416 56.833 0.266 6.52 6 39.5 0.1 384 1 6 -2 28.461 56.922 0.266 6.5 6 610.8 12.8 385 6 1 2 28.461 56.922 0.266 6.5 6 609.5 12.7 386 1 0 -32 28.479 56.958 0.267 6.49 6 487.6 8.1 387 2 0 -31 28.624 57.247 0.268 6.42 6 79.2 0.2 388 1 6 4 28.638 57.277 0.268 6.41 6 488.7 8.1 389 6 1 -4 28.638 57.277 0.268 6.41 6 491.0 8.2 390 4 0 -26 28.713 57.427 0.269 6.37 6 154.2 0.8 391 3 4 -13 28.749 57.497 0.269 6.35 6 59.3 0.1 392 4 3 13 28.749 57.497 0.269 6.35 6 72.3 0.2 393 1 6 -5 28.771 57.542 0.269 6.34 6 49.5 0.1 394 6 1 5 28.771 57.542 0.269 6.34 6 40.2 0.1 395 2 4 -20 28.935 57.87 0.27 6.26 6 488.1 7.9 396 4 2 20 28.935 57.87 0.27 6.26 6 485.9 7.8 397 1 4 -24 29.026 58.052 0.271 6.22 6 375.2 4.6 398 1 4 24 29.026 58.052 0.271 6.22 6 541.5 9.6 399 4 1 -24 29.026 58.052 0.271 6.22 6 536.9 9.5 400 4 1 24 29.026 58.052 0.271 6.22 6 360.3 4.3 401 2 3 -25 29.033 58.067 0.271 6.21 6 104.9 0.4 402 3 2 25 29.033 58.067 0.271 6.21 6 100.9 0.3 403 0 0 33 29.079 58.158 0.272 6.19 2 159.1 0.3 404 2 5 -12 29.094 58.187 0.272 6.19 6 600.1 11.8 405 2 5 12 29.094 58.187 0.272 6.19 6 295.5 2.8 406 5 2 -12 29.094 58.187 0.272 6.19 6 297.9 2.9 407 5 2 12 29.094 58.187 0.272 6.19 6 587.1 11.2 408 5 0 -22 29.1 58.199 0.272 6.18 6 241.8 1.9 409 1 6 7 29.123 58.247 0.272 6.17 6 24.2 0.0 410 6 1 -7 29.123 58.247 0.272 6.17 6 26.1 0.0 411 3 4 14 29.145 58.289 0.272 6.16 6 429.7 6.0 412 4 3 -14 29.145 58.289 0.272 6.16 6 433.5 6.1 413 3 3 -21 29.18 58.361 0.273 6.14 6 68.6 0.2 414 3 3 21 29.18 58.361 0.273 6.14 6 63.1 0.1 415 6 0 -15 29.214 58.428 0.273 6.13 6 118.3 0.5 416 6 0 15 29.214 58.428 0.273 6.13 6 112.7 0.4 417 1 3 28 29.23 58.46 0.273 6.12 6 52.5 0.1 418 3 1 -28 29.23 58.46 0.273 6.12 6 68.4 0.2 419 1 6 -8 29.342 58.684 0.274 6.07 6 358.2 4.1 420 6 1 8 29.342 58.684 0.274 6.07 6 366.6 4.3 421 1 5 -19 29.428 58.856 0.275 6.03 6 60.4 0.1 422 5 1 19 29.428 58.856 0.275 6.03 6 45.9 0.1 423 3 0 -30 29.506 59.012 0.275 5.99 6 50.6 0.1 424 3 0 30 29.506 59.012 0.275 5.99 6 351.9 3.9 425 2 0 32 29.545 59.09 0.276 5.97 6 332.9 3.5 426 1 2 -31 29.687 59.373 0.277 5.91 6 203.7 1.3 427 2 1 31 29.687 59.373 0.277 5.91 6 206.6 1.3 428 5 0 23 29.753 59.506 0.277 5.88 6 108.3 0.4 429 2 3 26 29.774 59.548 0.278 5.87 6 326.9 3.3 430 3 2 -26 29.774 59.548 0.278 5.87 6 319.8 3.2 431 1 6 10 29.863 59.726 0.278 5.83 6 273.8 2.3 432 6 1 -10 29.863 59.726 0.278 5.83 6 267.9 2.2 433 1 5 20 29.991 59.982 0.279 5.78 6 526.9 8.5 434 5 1 -20 29.991 59.982 0.279 5.78 6 521.7 8.3 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 0 3 2.532 5.065 20.24433 36.9 8.3 8.5 5.5 2 1 0 1 4.245 8.489 12.08475 5.9 1.3 1.4 5.6 3 1 0 2 4.49 8.98 11.42523 68.7 15.5 15.9 5.6 4 0 0 6 5.07 10.139 10.12217 29.9 6.8 6.9 5.6 5 1 0 4 5.362 10.724 9.57208 11.5 2.6 2.6 5.6 6 1 1 0 7.217 14.435 7.1195 266.3 60.3 61.3 5.6 7 0 0 9 7.617 15.234 6.74811 4.7 1.1 1.1 5.6 8 1 0 8 7.953 15.906 6.46474 123.6 28.0 28.4 5.6 9 2 0 1 8.385 16.769 6.13414 13.2 3.0 3.0 5.6 10 2 0 2 8.513 17.026 6.04237 73.7 16.7 16.9 5.6 11 2 0 4 9.008 18.016 5.71262 221.8 50.2 50.9 5.6 12 2 0 5 9.363 18.726 5.49792 9.4 2.1 2.2 5.6 13 1 0 10 9.449 18.898 5.44835 29.8 6.7 6.8 5.6 14 0 0 12 10.18 20.359 5.06108 28.0 6.3 6.4 5.6 15 1 0 11 10.224 20.449 5.03914 7.3 1.6 1.7 5.6 16 2 0 8 10.771 21.543 4.78604 14.0 3.2 3.2 5.6 17 2 1 2 11.196 22.391 4.60686 13.4 3.0 3.1 5.6 18 2 1 4 11.581 23.162 4.45561 9.8 2.2 2.2 5.6 19 2 0 10 11.931 23.861 4.32676 278.2 62.9 63.6 5.6 20 1 1 12 12.523 25.047 4.12501 79.1 17.9 18.1 5.6 21 3 0 0 12.568 25.137 4.11045 25.5 5.8 5.8 5.6 22 1 0 14 12.625 25.251 4.09223 24.0 5.4 5.5 5.6 23 1 2 8 13.014 26.028 3.97197 79.4 18.0 18.1 5.6 24 3 0 6 13.584 27.167 3.80841 161.4 36.5 36.8 5.6 25 2 0 13 13.899 27.798 3.7236 6.1 1.4 1.4 5.6 26 1 2 10 13.999 27.999 3.69749 32.7 7.4 7.5 5.6 27 1 0 16 14.274 28.548 3.62783 56.1 12.7 12.8 5.6 28 2 2 0 14.553 29.105 3.55975 130.3 29.5 29.7 5.6 29 2 0 14 14.602 29.205 3.5479 76.1 17.2 17.3 5.6 30 1 3 2 15.259 30.518 3.39861 151.5 34.3 34.5 5.6 31 2 2 6 15.448 30.895 3.35814 23.8 5.4 5.4 5.6 32 3 1 4 15.55 31.101 3.3365 66.9 15.1 15.2 5.6 33 1 2 13 15.729 31.458 3.29956 7.1 1.6 1.6 5.6 34 3 1 5 15.765 31.531 3.29209 8.8 2.0 2.0 5.6 35 2 0 16 16.065 32.129 3.23237 122.5 27.7 27.8 5.6 36 3 0 12 16.28 32.56 3.19069 72.5 16.4 16.5 5.6 37 3 1 7 16.327 32.654 3.18181 4.9 1.1 1.1 5.6 38 1 2 14 16.36 32.721 3.17545 59.4 13.4 13.5 5.6 39 2 2 9 16.504 33.009 3.14853 6.3 1.4 1.4 5.6 40 1 3 8 16.669 33.338 3.11827 5.7 1.3 1.3 5.7 41 4 0 2 16.956 33.912 3.06707 4.5 1.0 1.0 5.7 42 1 1 18 17.059 34.119 3.04899 83.7 18.9 19.0 5.7 43 4 0 4 17.221 34.443 3.02119 17.4 3.9 4.0 5.7 44 4 0 5 17.418 34.836 2.9881 6.4 1.5 1.5 5.7 45 1 3 10 17.466 34.933 2.98006 379.7 85.9 86.1 5.7 46 1 2 16 17.692 35.385 2.94323 55.3 12.5 12.5 5.7 47 2 2 12 17.891 35.781 2.91166 67.5 15.3 15.3 5.7 48 4 0 8 18.249 36.499 2.85631 441.9 100.0 100.0 5.7 49 2 0 19 18.373 36.745 2.83779 5.8 1.3 1.3 5.7 50 2 3 4 18.761 37.521 2.78114 12.8 2.9 2.9 5.7 51 1 3 13 18.912 37.825 2.75964 7.5 1.7 1.7 5.7 52 2 0 20 19.168 38.336 2.72418 82.9 18.8 18.7 5.7 53 4 1 0 19.414 38.829 2.69092 31.3 7.1 7.1 5.7 54 1 3 14 19.453 38.906 2.68579 139.5 31.6 31.5 5.7 55 2 2 15 19.547 39.093 2.67342 4.7 1.1 1.1 5.7 56 2 3 8 19.719 39.439 2.65092 43.5 9.8 9.8 5.7 57 3 0 18 20.058 40.116 2.60796 121.5 27.5 27.4 5.7 58 4 1 6 20.117 40.235 2.60059 14.2 3.2 3.2 5.7 59 1 2 20 20.583 41.165 2.54428 7.9 1.8 1.8 5.7 60 0 0 24 20.699 41.399 2.53054 37.0 8.4 8.3 5.7 61 2 0 22 20.794 41.587 2.51957 11.0 2.5 2.5 5.7 62 3 1 17 21.226 42.453 2.47051 9.2 2.1 2.1 5.7 63 5 0 2 21.338 42.676 2.45817 42.5 9.6 9.6 5.7 64 2 2 18 21.424 42.847 2.44883 28.3 6.4 6.4 5.7 65 4 0 16 21.949 43.898 2.39302 32.2 7.3 7.2 5.7 66 3 3 0 22.142 44.284 2.37317 44.8 10.1 10.1 5.7 67 4 2 2 22.641 45.281 2.32357 68.9 15.6 15.5 5.7 68 3 3 6 22.776 45.552 2.31051 6.9 1.6 1.5 5.7 69 4 2 4 22.85 45.7 2.30343 5.9 1.3 1.3 5.7 70 1 0 26 22.938 45.876 2.29507 6.0 1.4 1.4 5.7 71 3 2 16 23.224 46.448 2.26831 28.9 6.5 6.5 5.7 72 5 1 2 23.887 47.774 2.20891 11.5 2.6 2.6 5.7 73 5 1 4 24.088 48.175 2.19158 29.4 6.7 6.6 5.7 74 5 0 13 24.212 48.424 2.18101 7.3 1.6 1.6 5.7 75 4 2 10 24.274 48.549 2.17573 39.2 8.9 8.8 5.7 76 4 0 20 24.422 48.844 2.16338 96.9 21.9 21.6 5.7 77 3 1 22 24.607 49.214 2.14813 31.4 7.1 7.0 5.7 78 5 0 14 24.657 49.315 2.144 8.4 1.9 1.9 5.7 79 1 0 28 24.753 49.506 2.13624 22.0 5.0 4.9 5.7 80 1 5 8 24.879 49.757 2.12614 18.5 4.2 4.1 5.7 81 1 4 18 25.161 50.322 2.10378 12.9 2.9 2.9 5.8 82 4 2 13 25.399 50.799 2.08535 5.1 1.2 1.1 5.8 83 1 5 10 25.46 50.919 2.08074 7.3 1.6 1.6 5.8 84 5 0 16 25.627 51.254 2.06808 37.4 8.5 8.3 5.8 85 2 2 24 25.701 51.402 2.06251 8.6 1.9 1.9 5.8 86 6 0 0 25.799 51.598 2.05522 6.0 1.3 1.3 5.8 87 4 2 14 25.83 51.659 2.05293 14.9 3.4 3.3 5.8 88 4 3 2 26.244 52.488 2.02276 22.8 5.2 5.1 5.8 89 6 0 6 26.365 52.731 2.01412 17.0 3.9 3.8 5.8 90 2 4 16 26.768 53.537 1.98599 56.5 12.8 12.6 5.8 91 3 2 22 26.918 53.836 1.97578 5.4 1.2 1.2 5.8 92 2 1 28 27.055 54.11 1.96651 4.9 1.1 1.1 5.8 93 3 4 8 27.173 54.346 1.95863 11.1 2.5 2.5 5.8 94 1 1 30 27.345 54.69 1.94724 7.4 1.7 1.7 5.8 95 3 3 18 27.439 54.877 1.94111 21.7 4.9 4.8 5.8 96 2 5 6 27.485 54.971 1.93806 5.8 1.3 1.3 5.8 97 3 1 26 27.627 55.254 1.92892 9.4 2.1 2.1 5.8 98 3 4 10 27.72 55.44 1.92296 4.5 1.0 1.0 5.8 99 6 0 12 28.017 56.033 1.90421 49.9 11.3 11.0 5.8 100 1 6 2 28.461 56.922 1.87692 33.7 7.6 7.4 5.8 101 6 1 4 28.638 57.277 1.86625 16.2 3.7 3.6 5.8 102 2 4 20 28.935 57.87 1.84875 15.7 3.5 3.5 5.8 103 4 1 24 29.026 58.052 1.84345 28.6 6.5 6.3 5.8 104 2 5 12 29.094 58.187 1.83954 30.7 6.9 6.8 5.8 105 4 3 14 29.145 58.289 1.83661 12.1 2.7 2.7 5.8 106 6 1 8 29.342 58.684 1.82534 8.4 1.9 1.9 5.8 107 2 3 26 29.774 59.548 1.80123 6.5 1.5 1.4 5.8 108 1 6 10 29.863 59.726 1.79637 4.5 1.0 1.0 5.8 109 1 5 20 29.991 59.982 1.7894 16.8 3.8 3.7 5.8 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |