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 *** *********************** RASTSVETAEVITE 1, t-eudialyte, DF, MD Na(27)K(8)Ca(12)Fe(3)Zr(6)[Si(55)O(144)][O,OH,H(2)O](6)Cl(2) Hexagonal R 3m Z = 3 R =0.045 NR =3900 13 .5 .1902 Ref.Str.: Rastsvetaeva R.K., Khomyakov A.P. (2001) * Kristallogr., 46, 715-721 Reserv: from Khibini, Russia. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 14.249 alpha = 90.0 b = 14.249 beta = 90.0 c = 60.969 gamma = 120.0 Unit cell volume (cub. angs.) = 10720.34 Molar volume ( cub.cm/mol.) = 2152.42 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1675 0.335 0.0833 1.58 Zr = 0.8 , Ti = 0.2 2 0.0004 0.5002 0.248 1.56 Zr = 0.98, Hf = 0.02 3 0.072 0.6661 0.1659 1.52 Ca = 1.00 4 0.9997 0.2616 0.9991 1.55 Ca = 0.95, Sr = 0.05 5 0.3253 0.0563 0.1182 1.8 Si = 1.00 6 0.2522 0.1261 0.294 1.3 Si = 1.00 7 0.0629 0.3434 0.2835 1.4 Si = 1.00 8 0.5967 0.4033 0.291 1.2 Si = 1.00 9 0.0717 0.1434 0.0411 1.6 Si = 1.00 10 0.4042 0.5958 0.2066 1.4 Si = 1.00 11 0.5413 0.4587 0.1279 2.1 Si = 1.00 12 0.2636 0.5272 0.1259 1.6 Si = 1.00 13 0.0046 0.6084 0.0489 1.4 Si = 1.00 14 0.1245 0.249 0.2037 1.6 Si = 1.00 15 0.4152 0.2076 0.0378 1.7 Si = 1.00 16 0.3389 0.0639 0.2141 1.4 Si = 1.00 17 0.0 0.0 0.1934 1.7 Si = 0.81, Si = 0.0 18 0.0 0.0 0.2871 1.7 Si = 1.00 19 0.6667 0.3333 0.0458 1.7 Si = 0.83, Si = 0.0 20 0.6667 0.3333 0.1182 2.8 Si = 0.17, Si = 0.0 21 0.0 0.0 0.1885 2.6 Al = 0.19, Al = 0.0 22 0.6667 0.3333 0.144 2.9 Si = 0.53, Na = 0.07 23 0.3292 0.1646 0.1667 1.6 Fe = 0.63, Fe = 0.0 24 0.3892 0.1946 0.1639 1.6 Fe = 0.1 , Fe = 0.0 25 0.2711 0.1356 0.1672 2.0 Mn = 0.12, Mn = 0.0 26 0.0943 0.1886 0.1433 3.5 K = 1.00 27 0.1028 0.2056 0.3291 2.0 K = 0.67, K = 0.0 28 0.5635 0.127 0.0045 1.7 K = 0.67, K = 0.0 29 0.171 0.0855 0.0823 2.2 K = 0.22, K = 0.0 30 0.0922 0.5461 0.302 2.4 Na = 0.5 , Sr = 0.2 31 0.4283 0.5717 0.3067 2.4 Na = 0.3 , Na = 0.0 32 0.215 0.1075 0.0771 2.7 Na = 0.78, Na = 0.0 33 0.2138 0.4276 0.0296 3.3 Na = 1.00 34 0.4429 0.5571 0.0904 4.6 Na = 1.00 35 0.5683 0.4317 0.1905 3.2 Na = 1.00 36 0.2201 0.4402 0.2428 4.3 Na = 1.00 37 0.4802 0.2401 0.2505 3.1 Na = 0.44, Na = 0.0 38 0.4294 0.2147 0.2583 5.2 Na = 0.56, Na = 0.0 39 0.1491 0.0146 0.2476 6.0 Na = 0.22, Na = 0.0 40 0.1624 0.0812 0.2438 8.2 Na = 0.56, Na = 0.0 41 0.5036 0.2518 0.087 8.7 Na = 0.89, Na = 0.0 42 0.5863 0.1726 0.0766 4.0 Na = 0.11, Na = 0.0 43 0.2034 0.1017 0.1684 2.7 Na = 0.15, Na = 0.0 44 0.9982 0.4991 0.004 2.3 Na = 0.33, Na = 0.0 45 0.3534 0.1767 0.1093 2.2 O = 1.00 46 0.3058 0.1529 0.317 2.2 O = 1.00 47 0.5161 0.0322 0.1519 1.5 O = 1.00 48 0.3839 0.2798 0.0541 1.9 O = 1.00 49 0.0698 0.3696 0.3089 1.7 O = 1.00 50 0.0308 0.2584 0.1045 2.7 O = 1.00 51 0.309 0.1545 0.2233 2.3 O = 1.00 52 0.101 0.4078 0.0651 2.7 O = 1.00 53 0.0593 0.1186 0.2043 4.8 O = 1.00 54 0.5675 0.135 0.2666 2.6 O = 1.00 55 0.2403 0.4806 0.1016 2.9 O = 1.00 56 0.3057 0.2531 0.1445 1.8 O = 1.00 57 0.5544 0.4456 0.3108 1.5 O = 1.00 58 0.2708 0.5416 0.2042 1.6 O = 1.00 59 0.0378 0.6312 0.0235 2.2 O = 1.00 60 0.3707 0.2918 0.1888 2.0 O = 1.00 61 0.1224 0.0612 0.0409 2.1 O = 1.00 62 0.5428 0.2714 0.2931 2.3 O = 1.00 63 0.0556 0.2911 0.2192 1.3 O = 1.00 64 0.5132 0.0264 0.0565 1.7 O = 1.00 65 0.3946 0.6054 0.1273 2.5 O = 1.00 66 0.0954 0.1908 0.0654 2.0 O = 1.00 67 0.0727 0.6363 0.2679 1.7 O = 1.00 68 0.1582 0.3164 0.2755 2.0 O = 1.00 69 0.4381 0.3617 0.229 2.6 O = 1.00 70 0.5452 0.2726 0.0358 2.6 O = 1.00 71 0.1128 0.2256 0.0218 2.4 O = 1.00 72 0.2201 0.4402 0.1451 2.2 O = 1.00 73 0.1038 0.5519 0.188 1.9 O = 1.00 74 0.281 0.2285 0.2782 2.3 O = 1.00 75 0.6074 0.2148 0.1265 2.5 O = 1.00 76 0.4375 0.3843 0.113 4.4 O = 1.00 77 0.1204 0.0602 0.2984 2.4 O = 1.00 78 0.1518 0.3036 0.1801 2.5 O = 1.00 79 0.4284 0.5716 0.2307 2.1 O = 1.00 80 0.3574 0.1787 0.0145 1.7 O = 1.00 81 0.3333 0.6667 0.3088 3.3 Cl = 0.88, Cl = 0.0 82 0.0 0.0 0.1147 3.8 Cl = 0.55, Cl = 0.0 83 0.3333 0.6667 0.024 3.2 Cl = 0.78, Cl = 0.0 84 0.3333 0.6667 0.0535 3.1 Cl = 0.22, Cl = 0.0 85 0.0 0.0 0.2615 3.0 OH = 1.00 86 0.6667 0.3333 0.0725 1.7 OH = 0.83, OH = 0.0 87 0.6667 0.3333 0.0922 7.0 OH = 0.17, OH = 0.0 88 0.554 0.277 0.1663 3.1 OH = 0.23, OH = 0.0 89 0.6667 0.3333 0.1696 4.2 OH = 0.39, OH = 0.0 90 0.1046 0.0523 0.1686 2.7 OH = 0.19, OH = 0.0 91 0.0 0.0 0.1681 4.0 OH = 0.81, OH = 0.0 92 0.3333 0.6667 0.2609 3.5 H(2)O = 0.5 , H(2)O = 0.0 93 0.6667 0.3333 0.2192 6.3 H(2)O = 1.00 94 0.3333 0.6667 0.0727 3.6 H(2)O = 0.54, H(2)O = 0.0 95 0.3333 0.6667 0.5 4.0 H(2)O = 0.3 , H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1675 0.335 0.0833 2 2 0.0004 0.5002 0.248 3 3 0.072 0.6661 0.1659 4 4 0.9997 0.2616 0.9991 5 5 0.3253 0.0563 0.1182 6 6 0.2522 0.1261 0.294 7 7 0.0629 0.3434 0.2835 8 8 0.5967 0.4033 0.291 9 9 0.0717 0.1434 0.0411 10 10 0.4042 0.5958 0.2066 11 11 0.5413 0.4587 0.1279 12 12 0.2636 0.5272 0.1259 13 13 0.0046 0.6084 0.0489 14 14 0.1245 0.249 0.2037 15 15 0.4152 0.2076 0.0378 16 16 0.3389 0.0639 0.2141 17 17 0.0 0.0 0.1934 18 18 0.0 0.0 0.2871 19 19 0.6667 0.3333 0.0458 20 20 0.6667 0.3333 0.1182 21 21 0.0 0.0 0.1885 22 22 0.6667 0.3333 0.144 23 23 0.3292 0.1646 0.1667 24 24 0.3892 0.1946 0.1639 25 25 0.2711 0.1356 0.1672 26 26 0.0943 0.1886 0.1433 27 27 0.1028 0.2056 0.3291 28 28 0.5635 0.127 0.0045 29 29 0.171 0.0855 0.0823 30 30 0.0922 0.5461 0.302 31 31 0.4283 0.5717 0.3067 32 32 0.215 0.1075 0.0771 33 33 0.2138 0.4276 0.0296 34 34 0.4429 0.5571 0.0904 35 35 0.5683 0.4317 0.1905 36 36 0.2201 0.4402 0.2428 37 37 0.4802 0.2401 0.2505 38 38 0.4294 0.2147 0.2583 39 39 0.1491 0.0146 0.2476 40 40 0.1624 0.0812 0.2438 41 41 0.5036 0.2518 0.087 42 42 0.5863 0.1726 0.0766 43 43 0.2034 0.1017 0.1684 44 44 0.9982 0.4991 0.004 45 45 0.3534 0.1767 0.1093 46 46 0.3058 0.1529 0.317 47 47 0.5161 0.0322 0.1519 48 48 0.3839 0.2798 0.0541 49 49 0.0698 0.3696 0.3089 50 50 0.0308 0.2584 0.1045 51 51 0.309 0.1545 0.2233 52 52 0.101 0.4078 0.0651 53 53 0.0593 0.1186 0.2043 54 54 0.5675 0.135 0.2666 55 55 0.2403 0.4806 0.1016 56 56 0.3057 0.2531 0.1445 57 57 0.5544 0.4456 0.3108 58 58 0.2708 0.5416 0.2042 59 59 0.0378 0.6312 0.0235 60 60 0.3707 0.2918 0.1888 61 61 0.1224 0.0612 0.0409 62 62 0.5428 0.2714 0.2931 63 63 0.0556 0.2911 0.2192 64 64 0.5132 0.0264 0.0565 65 65 0.3946 0.6054 0.1273 66 66 0.0954 0.1908 0.0654 67 67 0.0727 0.6363 0.2679 68 68 0.1582 0.3164 0.2755 69 69 0.4381 0.3617 0.229 70 70 0.5452 0.2726 0.0358 71 71 0.1128 0.2256 0.0218 72 72 0.2201 0.4402 0.1451 73 73 0.1038 0.5519 0.188 74 74 0.281 0.2285 0.2782 75 75 0.6074 0.2148 0.1265 76 76 0.4375 0.3843 0.113 77 77 0.1204 0.0602 0.2984 78 78 0.1518 0.3036 0.1801 79 79 0.4284 0.5716 0.2307 80 80 0.3574 0.1787 0.0145 81 81 0.3333 0.6667 0.3088 82 82 0.0 0.0 0.1147 83 83 0.3333 0.6667 0.024 84 84 0.3333 0.6667 0.0535 85 85 0.0 0.0 0.2615 86 86 0.6667 0.3333 0.0725 87 87 0.6667 0.3333 0.0922 88 88 0.554 0.277 0.1663 89 89 0.6667 0.3333 0.1696 90 90 0.1046 0.0523 0.1686 91 91 0.0 0.0 0.1681 92 92 0.3333 0.6667 0.2609 93 93 0.6667 0.3333 0.2192 94 94 0.3333 0.6667 0.0727 95 95 0.3333 0.6667 0.5 96 1 0.665 0.8325 0.0833 97 1 0.1675 0.8325 0.0833 98 2 0.4998 0.5002 0.248 99 2 0.4998 0.9996 0.248 100 3 0.3339 0.4059 0.1659 101 3 0.5941 0.928 0.1659 102 4 0.7384 0.7381 0.9991 103 4 0.2619 0.0003 0.9991 104 5 0.9437 0.269 0.1182 105 5 0.731 0.6747 0.1182 106 6 0.8739 0.1261 0.294 107 6 0.8739 0.7478 0.294 108 7 0.6566 0.7195 0.2835 109 7 0.2805 0.9371 0.2835 110 8 0.5967 0.1934 0.291 111 8 0.8066 0.4033 0.291 112 9 0.8566 0.9283 0.0411 113 9 0.0717 0.9283 0.0411 114 10 0.4042 0.8084 0.2066 115 10 0.1916 0.5958 0.2066 116 11 0.5413 0.0826 0.1279 117 11 0.9174 0.4587 0.1279 118 12 0.4728 0.7364 0.1259 119 12 0.2636 0.7364 0.1259 120 13 0.3916 0.3962 0.0489 121 13 0.6038 0.9954 0.0489 122 14 0.751 0.8755 0.2037 123 14 0.1245 0.8755 0.2037 124 15 0.7924 0.2076 0.0378 125 15 0.7924 0.5848 0.0378 126 16 0.9361 0.275 0.2141 127 16 0.725 0.6611 0.2141 128 23 0.8354 0.1646 0.1667 129 23 0.8354 0.6708 0.1667 130 24 0.8054 0.1946 0.1639 131 24 0.8054 0.6108 0.1639 132 25 0.8644 0.1355 0.1672 133 25 0.8645 0.7289 0.1672 134 26 0.8114 0.9057 0.1433 135 26 0.0943 0.9057 0.1433 136 27 0.7944 0.8972 0.3291 137 27 0.1028 0.8972 0.3291 138 28 0.873 0.4365 0.0045 139 28 0.5635 0.4365 0.0045 140 29 0.9145 0.0855 0.0823 141 29 0.9145 0.829 0.0823 142 30 0.4539 0.5461 0.302 143 30 0.4539 0.9078 0.302 144 31 0.4283 0.8566 0.3067 145 31 0.1434 0.5717 0.3067 146 32 0.8925 0.1075 0.0771 147 32 0.8925 0.785 0.0771 148 33 0.5724 0.7862 0.0296 149 33 0.2138 0.7862 0.0296 150 34 0.4429 0.8858 0.0904 151 34 0.1142 0.5571 0.0904 152 35 0.5683 0.1366 0.1905 153 35 0.8634 0.4317 0.1905 154 36 0.5598 0.7799 0.2428 155 36 0.2201 0.7799 0.2428 156 37 0.7599 0.2401 0.2505 157 37 0.7599 0.5198 0.2505 158 38 0.7853 0.2147 0.2583 159 38 0.7853 0.5706 0.2583 160 39 0.9854 0.1345 0.2476 161 39 0.8655 0.8509 0.2476 162 40 0.9188 0.0812 0.2438 163 40 0.9188 0.8376 0.2438 164 41 0.7482 0.2518 0.087 165 41 0.7482 0.4964 0.087 166 42 0.8274 0.4137 0.0766 167 42 0.5863 0.4137 0.0766 168 43 0.8983 0.1017 0.1684 169 43 0.8983 0.7966 0.1684 170 44 0.5009 0.4991 0.004 171 44 0.5009 0.0018 0.004 172 45 0.8233 0.1767 0.1093 173 45 0.8233 0.6466 0.1093 174 46 0.8471 0.1529 0.317 175 46 0.8471 0.6942 0.317 176 47 0.9678 0.4839 0.1519 177 47 0.5161 0.4839 0.1519 178 48 0.7202 0.1041 0.0541 179 48 0.8959 0.6161 0.0541 180 49 0.6304 0.7002 0.3089 181 49 0.2998 0.9302 0.3089 182 50 0.7416 0.7724 0.1045 183 50 0.2276 0.9692 0.1045 184 51 0.8455 0.1545 0.2233 185 51 0.8455 0.691 0.2233 186 52 0.5922 0.6932 0.0651 187 52 0.3068 0.899 0.0651 188 53 0.8814 0.9407 0.2043 189 53 0.0593 0.9407 0.2043 190 54 0.865 0.4325 0.2666 191 54 0.5675 0.4325 0.2666 192 55 0.5194 0.7597 0.1016 193 55 0.2403 0.7597 0.1016 194 56 0.7469 0.0526 0.1445 195 56 0.9474 0.6943 0.1445 196 57 0.5544 0.1088 0.3108 197 57 0.8912 0.4456 0.3108 198 58 0.4584 0.7292 0.2042 199 58 0.2708 0.7292 0.2042 200 59 0.3688 0.4066 0.0235 201 59 0.5934 0.9622 0.0235 202 60 0.7082 0.0789 0.1888 203 60 0.9211 0.6293 0.1888 204 61 0.9388 0.0612 0.0409 205 61 0.9388 0.8776 0.0409 206 62 0.7286 0.2714 0.2931 207 62 0.7286 0.4572 0.2931 208 63 0.7089 0.7645 0.2192 209 63 0.2355 0.9444 0.2192 210 64 0.9736 0.4868 0.0565 211 64 0.5132 0.4868 0.0565 212 65 0.3946 0.7892 0.1273 213 65 0.2108 0.6054 0.1273 214 66 0.8092 0.9046 0.0654 215 66 0.0954 0.9046 0.0654 216 67 0.3637 0.4364 0.2679 217 67 0.5636 0.9273 0.2679 218 68 0.6836 0.8418 0.2755 219 68 0.1582 0.8418 0.2755 220 69 0.6383 0.0764 0.229 221 69 0.9236 0.5619 0.229 222 70 0.7274 0.2726 0.0358 223 70 0.7274 0.4548 0.0358 224 71 0.7744 0.8872 0.0218 225 71 0.1128 0.8872 0.0218 226 72 0.5598 0.7799 0.1451 227 72 0.2201 0.7799 0.1451 228 73 0.4481 0.5519 0.188 229 73 0.4481 0.8962 0.188 230 74 0.7715 0.0525 0.2782 231 74 0.9475 0.719 0.2782 232 75 0.7852 0.3926 0.1265 233 75 0.6074 0.3926 0.1265 234 76 0.6157 0.0532 0.113 235 76 0.9468 0.5625 0.113 236 77 0.9398 0.0602 0.2984 237 77 0.9398 0.8796 0.2984 238 78 0.6964 0.8482 0.1801 239 78 0.1518 0.8482 0.1801 240 79 0.4284 0.8568 0.2307 241 79 0.1432 0.5716 0.2307 242 80 0.8213 0.1787 0.0145 243 80 0.8213 0.6426 0.0145 244 88 0.723 0.277 0.1663 245 88 0.723 0.446 0.1663 246 90 0.9477 0.0523 0.1686 247 90 0.9477 0.8954 0.1686 248 1 0.3317 0.1658 0.4166 249 1 0.5008 0.4992 0.75 250 2 0.1665 0.8335 0.5813 251 2 0.8331 0.6663 0.9147 252 3 0.0006 0.7392 0.4992 253 3 0.9274 0.5947 0.8326 254 4 0.4051 0.0714 0.3324 255 4 0.5952 0.667 0.6658 256 5 0.6104 0.6023 0.4515 257 5 0.0643 0.3414 0.7849 258 6 0.5406 0.4594 0.6273 259 6 0.2072 0.4145 0.9607 260 7 0.3233 0.0528 0.6168 261 7 0.6138 0.6038 0.9502 262 8 0.2634 0.5267 0.6243 263 8 0.1399 0.07 0.9577 264 9 0.5233 0.2616 0.3744 265 9 0.405 0.595 0.7078 266 10 0.0709 0.1417 0.5399 267 10 0.5249 0.2625 0.8733 268 11 0.208 0.4159 0.4612 269 11 0.2507 0.1254 0.7946 270 12 0.1395 0.0697 0.4592 271 12 0.5969 0.4031 0.7926 272 13 0.0583 0.7295 0.3822 273 13 0.9371 0.6621 0.7156 274 14 0.4177 0.2088 0.537 275 14 0.4578 0.5422 0.8704 276 15 0.4591 0.5409 0.3711 277 15 0.1257 0.2515 0.7045 278 16 0.6028 0.6083 0.5474 279 16 0.0583 0.3278 0.8808 280 17 0.6667 0.3333 0.5267 281 17 0.3333 0.6667 0.8601 282 18 0.6667 0.3333 0.6204 283 18 0.3333 0.6667 0.9538 284 19 0.3334 0.6667 0.3791 285 19 0.0 0.0 0.7125 286 20 0.3334 0.6667 0.4515 287 20 0.0 0.0 0.7849 288 21 0.6667 0.3333 0.5218 289 21 0.3333 0.6667 0.8552 290 22 0.3334 0.6667 0.4773 291 22 0.0 0.0 0.8107 292 23 0.5021 0.4979 0.5 293 23 0.1687 0.3375 0.8334 294 24 0.4721 0.5279 0.4972 295 24 0.1387 0.2775 0.8306 296 25 0.5311 0.4688 0.5005 297 25 0.1978 0.3956 0.8339 298 26 0.4781 0.239 0.4766 299 26 0.4276 0.5724 0.81 300 27 0.4611 0.2305 0.6624 301 27 0.4361 0.5639 0.9958 302 28 0.5397 0.7698 0.3378 303 28 0.8968 0.1032 0.6712 304 29 0.5812 0.4188 0.4156 305 29 0.2478 0.4957 0.749 306 30 0.1206 0.8794 0.6353 307 30 0.7872 0.5745 0.9687 308 31 0.095 0.1899 0.64 309 31 0.4767 0.2384 0.9734 310 32 0.5592 0.4408 0.4104 311 32 0.2258 0.4517 0.7438 312 33 0.2391 0.1195 0.3629 313 33 0.5471 0.4529 0.6963 314 34 0.1096 0.2191 0.4237 315 34 0.4475 0.2238 0.7571 316 35 0.235 0.4699 0.5238 317 35 0.1967 0.0984 0.8572 318 36 0.2265 0.1132 0.5761 319 36 0.5534 0.4466 0.9095 320 37 0.4266 0.5734 0.5838 321 37 0.0932 0.1865 0.9172 322 38 0.452 0.548 0.5916 323 38 0.1186 0.2373 0.925 324 39 0.6521 0.4678 0.5809 325 39 0.1988 0.5176 0.9143 326 40 0.5855 0.4145 0.5771 327 40 0.2521 0.5043 0.9105 328 41 0.4149 0.5851 0.4203 329 41 0.0815 0.1631 0.7537 330 42 0.4941 0.747 0.4099 331 42 0.9196 0.0804 0.7433 332 43 0.565 0.435 0.5017 333 43 0.2316 0.4633 0.8351 334 44 0.1676 0.8324 0.3373 335 44 0.8342 0.6685 0.6707 336 45 0.49 0.51 0.4426 337 45 0.1566 0.3133 0.776 338 46 0.5138 0.4862 0.6503 339 46 0.1804 0.3609 0.9837 340 47 0.6345 0.8172 0.4852 341 47 0.8494 0.1506 0.8186 342 48 0.3869 0.4374 0.3874 343 48 0.2292 0.2828 0.7208 344 49 0.2971 0.0335 0.6422 345 49 0.6331 0.5969 0.9756 346 50 0.4083 0.1057 0.4378 347 50 0.5609 0.6359 0.7712 348 51 0.5122 0.4878 0.5566 349 51 0.1788 0.3577 0.89 350 52 0.2589 0.0265 0.3984 351 52 0.6401 0.5657 0.7318 352 53 0.5481 0.274 0.5376 353 53 0.3926 0.6074 0.871 354 54 0.5317 0.7658 0.5999 355 54 0.9008 0.0992 0.9333 356 55 0.1861 0.093 0.4349 357 55 0.5736 0.4264 0.7683 358 56 0.4136 0.3859 0.4778 359 56 0.2807 0.361 0.8112 360 57 0.2211 0.4421 0.6441 361 57 0.2245 0.1123 0.9775 362 58 0.1251 0.0625 0.5375 363 58 0.6041 0.3959 0.8709 364 59 0.0355 0.7399 0.3568 365 59 0.9267 0.6289 0.6902 366 60 0.3749 0.4122 0.5221 367 60 0.2544 0.296 0.8555 368 61 0.6055 0.3945 0.3742 369 61 0.2721 0.5443 0.7076 370 62 0.3953 0.6047 0.6264 371 62 0.0619 0.1239 0.9598 372 63 0.3756 0.0978 0.5525 373 63 0.5688 0.6111 0.8859 374 64 0.6403 0.8201 0.3898 375 64 0.8465 0.1535 0.7232 376 65 0.0613 0.1225 0.4606 377 65 0.5441 0.2721 0.794 378 66 0.4759 0.2379 0.3987 379 66 0.4287 0.5713 0.7321 380 67 0.0304 0.7697 0.6012 381 67 0.8969 0.594 0.9346 382 68 0.3503 0.1751 0.6088 383 68 0.4915 0.5085 0.9422 384 69 0.305 0.4097 0.5623 385 69 0.2569 0.2286 0.8957 386 70 0.3941 0.6059 0.3691 387 70 0.0607 0.1215 0.7025 388 71 0.4411 0.2205 0.3551 389 71 0.4461 0.5539 0.6885 390 72 0.2265 0.1132 0.4784 391 72 0.5534 0.4466 0.8118 392 73 0.1148 0.8852 0.5213 393 73 0.7814 0.5629 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794 69 0.9236 0.3617 0.229 795 74 0.7715 0.719 0.2782 796 74 0.9475 0.2285 0.2782 797 76 0.6157 0.5625 0.113 798 76 0.9468 0.3843 0.113 799 3 0.0006 0.2613 0.4992 800 3 0.9274 0.3328 0.8326 801 4 0.4051 0.3336 0.3324 802 4 0.5952 0.9283 0.6658 803 5 0.6104 0.008 0.4515 804 5 0.0643 0.723 0.7849 805 7 0.3233 0.2704 0.6168 806 7 0.6138 0.0101 0.9502 807 13 0.0583 0.3287 0.3822 808 13 0.9371 0.2751 0.7156 809 16 0.6028 0.9944 0.5474 810 16 0.0583 0.7306 0.8808 811 39 0.6521 0.1842 0.5809 812 39 0.1988 0.6813 0.9143 813 48 0.3869 0.9494 0.3874 814 48 0.2292 0.9465 0.7208 815 49 0.2971 0.2635 0.6422 816 49 0.6331 0.0363 0.9756 817 50 0.4083 0.3025 0.4378 818 50 0.5609 0.9251 0.7712 819 52 0.2589 0.2323 0.3984 820 52 0.6401 0.0745 0.7318 821 56 0.4136 0.0276 0.4778 822 56 0.2807 0.9198 0.8112 823 59 0.0355 0.2955 0.3568 824 59 0.9267 0.2979 0.6902 825 60 0.3749 0.9626 0.5221 826 60 0.2544 0.9585 0.8555 827 63 0.3756 0.2777 0.5525 828 63 0.5688 0.9578 0.8859 829 67 0.0304 0.2606 0.6012 830 67 0.8969 0.303 0.9346 831 69 0.305 0.8952 0.5623 832 69 0.2569 0.0284 0.8957 833 74 0.4382 0.0523 0.6115 834 74 0.2808 0.8952 0.9449 835 76 0.2824 0.8958 0.4463 836 76 0.2801 0.051 0.7797 837 3 0.2608 0.9994 0.4992 838 3 0.4053 0.0726 0.8326 839 3 0.7387 0.7392 0.4992 840 3 0.6672 0.5947 0.8326 841 4 0.9286 0.5949 0.3324 842 4 0.333 0.4048 0.6658 843 4 0.6664 0.0714 0.3324 844 4 0.0717 0.667 0.6658 845 5 0.3977 0.3896 0.4515 846 5 0.6586 0.9357 0.7849 847 5 0.992 0.6023 0.4515 848 5 0.277 0.3414 0.7849 849 7 0.9472 0.6767 0.6168 850 7 0.3962 0.3862 0.9502 851 7 0.7296 0.0528 0.6168 852 7 0.9899 0.6038 0.9502 853 13 0.2705 0.9417 0.3822 854 13 0.3379 0.0629 0.7156 855 13 0.6713 0.7295 0.3822 856 13 0.7249 0.6621 0.7156 857 16 0.3917 0.3972 0.5474 858 16 0.6722 0.9417 0.8808 859 16 0.0056 0.6083 0.5474 860 16 0.2694 0.3278 0.8808 861 39 0.5322 0.3479 0.5809 862 39 0.4824 0.8012 0.9143 863 39 0.8158 0.4678 0.5809 864 39 0.3187 0.5176 0.9143 865 48 0.5626 0.6131 0.3874 866 48 0.7172 0.7708 0.7208 867 48 0.0506 0.4374 0.3874 868 48 0.0535 0.2828 0.7208 869 49 0.9665 0.7029 0.6422 870 49 0.4031 0.3669 0.9756 871 49 0.7365 0.0335 0.6422 872 49 0.9637 0.5969 0.9756 873 50 0.8943 0.5917 0.4378 874 50 0.3641 0.4391 0.7712 875 50 0.6975 0.1057 0.4378 876 50 0.0749 0.6359 0.7712 877 52 0.9735 0.7411 0.3984 878 52 0.4343 0.3599 0.7318 879 52 0.7677 0.0265 0.3984 880 52 0.9255 0.5657 0.7318 881 56 0.6141 0.5864 0.4778 882 56 0.639 0.7193 0.8112 883 56 0.9724 0.3859 0.4778 884 56 0.0802 0.361 0.8112 885 59 0.2601 0.9645 0.3568 886 59 0.3711 0.0733 0.6902 887 59 0.7045 0.7399 0.3568 888 59 0.7021 0.6289 0.6902 889 60 0.5878 0.6251 0.5221 890 60 0.704 0.7456 0.8555 891 60 0.0374 0.4122 0.5221 892 60 0.0415 0.296 0.8555 893 63 0.9022 0.6244 0.5525 894 63 0.3889 0.4312 0.8859 895 63 0.7223 0.0978 0.5525 896 63 0.0422 0.6111 0.8859 897 67 0.2303 0.9696 0.6012 898 67 0.406 0.1031 0.9346 899 67 0.7394 0.7697 0.6012 900 67 0.697 0.594 0.9346 901 69 0.5903 0.695 0.5623 902 69 0.7714 0.7431 0.8957 903 69 0.1048 0.4097 0.5623 904 69 0.9716 0.2286 0.8957 905 74 0.6142 0.5618 0.6115 906 74 0.6143 0.7192 0.9449 907 74 0.9477 0.3858 0.6115 908 74 0.1048 0.3857 0.9449 909 76 0.6135 0.7176 0.4463 910 76 0.7708 0.7199 0.7797 911 76 0.1042 0.3865 0.4463 912 76 0.949 0.2292 0.7797 X-ray density (g/cm cub.) = 2.83 MU (1/cm) = 249.708 Mass attenuation coefficient (cm**2/g) = 88.146 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Zr ,Ti 3.156 6 2.1284 50 2.0465 52 2.1149 55 2.0874 66 2.1284 50 2.0466 52 2 Zr ,Hf 3.156 6 2.0728 67 2.0193 54 2.0674 69 2.0538 79 2.0728 67 2.0674 69 3 Ca 3.42 6 2.3251 73 2.4123 47 2.3935 56 2.3916 60 2.2955 72 2.4134 78 4 Ca ,Sr 3.612 8 2.3669 71 3.5951 61 2.395 80 2.4241 46 3.483 62 2.311 49 2.328 57 2.378 59 5 Si 2.64 4 1.6465 45 1.5646 50 1.624 56 1.652 76 6 Si 2.64 4 1.5504 46 1.6207 74 1.6484 77 1.6207 74 7 Si 2.64 4 1.5845 49 1.659 68 1.5796 67 1.6722 74 8 Si 2.64 4 1.596 57 1.6417 62 1.653 54 1.6418 62 9 Si 2.64 4 1.6553 61 1.5928 66 1.5536 71 1.6553 61 10 Si 2.64 4 1.6622 58 1.5861 79 1.6621 58 1.5685 73 11 Si 2.64 4 1.6027 76 1.5899 47 1.6337 75 1.6028 76 12 Si 2.64 4 1.5892 55 1.6289 65 1.5884 72 1.6288 65 13 Si 2.64 4 1.6043 59 1.6374 48 1.627 64 1.6318 52 14 Si 2.64 4 1.6096 53 1.675 63 1.5888 78 1.6751 63 15 Si 2.64 4 1.6443 48 1.6088 70 1.5896 80 1.6443 48 16 Si 2.64 4 1.647 51 1.6303 63 1.5917 60 1.6134 69 17 Si ,Si 2.64 7 1.6073 53 1.988 90 1.5425 91 1.6073 53 1.6075 53 1.988 90 1.988 90 18 Si 2.64 4 1.6377 77 1.5608 85 1.6376 77 1.6377 77 19 Si ,Si 2.64 4 1.6185 70 1.6279 86 1.6175 70 1.6185 70 20 Si ,Si 2.64 4 1.5474 75 1.5852 87 1.5474 75 1.5484 75 21 Al ,Al 2.856 7 1.7521 53 1.7715 90 1.2438 91 1.7521 53 1.7522 53 1.7714 90 1.7715 90 22 Si ,Na 3.348 9 1.8102 75 3.1582 87 1.9449 88 1.5608 89 1.8102 75 1.8111 75 1.9441 88 1.9449 88 1.3816 95 23 Fe ,Fe 3.132 6 1.9891 56 2.0925 60 2.7741 88 2.774 90 1.9891 56 2.0925 60 24 Fe ,Fe 3.132 5 2.1216 56 2.1581 60 2.0389 88 2.1216 56 2.1581 60 25 Mn ,Mn 3.264 5 2.0338 56 2.3545 60 2.0564 90 2.0348 56 2.3554 60 26 K 3.768 10 2.8816 50 2.6749 56 3.1067 72 2.6548 78 2.9081 82 2.5412 90 2.7754 91 2.5413 90 2.8817 50 2.6749 56 27 K ,K 3.768 10 3.4128 46 2.8805 49 3.5424 68 2.8945 77 3.4127 46 2.8946 77 3.0658 83 2.5789 59 2.8807 49 2.5789 59 28 K ,K 3.768 10 3.4048 64 2.9249 70 3.4208 80 2.8352 59 2.9248 70 3.4209 80 3.1015 81 2.6557 49 2.8351 59 2.6555 49 29 K ,K 3.768 9 2.7886 45 3.3801 48 2.5944 61 2.4677 66 2.8905 82 2.5623 50 2.4677 66 3.3801 48 2.5623 50 30 Na ,Sr 3.612 8 2.4085 49 2.5315 67 3.0039 81 3.5382 54 2.5376 57 2.918 80 2.4085 49 2.5315 67 31 Na ,Na 3.348 7 3.1222 57 2.3481 81 2.5279 49 2.8958 67 2.908 80 2.5278 49 2.8958 67 32 Na ,Na 3.348 8 2.6021 45 2.8067 48 2.4853 61 2.6162 66 2.6572 50 2.6162 66 2.8067 48 2.6572 50 33 Na 3.348 8 2.6257 52 2.5376 71 2.9702 83 3.2907 84 2.4015 59 2.9195 46 2.4014 59 2.6257 52 34 Na 3.348 9 2.6156 55 2.546 65 2.7888 76 2.9122 94 2.5574 52 2.6155 55 2.6986 64 2.5573 52 2.7888 76 35 Na 3.348 11 2.5099 60 2.8454 69 2.5746 88 2.7425 89 2.9932 93 2.6829 47 2.9703 73 2.5747 88 2.8299 95 2.51 60 2.8454 69 36 Na 3.348 9 2.6654 58 2.6643 63 2.5117 68 2.7022 79 3.005 92 2.5773 67 2.7021 79 2.5773 67 2.6642 63 37 Na ,Na 3.348 9 2.6858 51 2.5723 54 2.7097 62 2.4738 69 3.2353 74 2.9897 93 2.5723 54 2.4738 69 3.2353 74 38 Na ,Na 3.348 8 2.6002 51 2.7663 54 2.5416 62 2.7082 69 2.5294 74 2.7664 54 2.7082 69 2.5294 74 39 Na ,Na 3.348 8 2.6111 51 3.2518 74 3.2323 77 2.1984 85 2.8927 53 2.5974 63 3.0484 68 2.5079 74 40 Na ,Na 3.348 8 2.1988 51 3.0041 53 2.8483 74 2.2761 85 3.0041 53 3.0274 63 2.8483 74 3.0274 63 41 Na ,Na 3.348 10 2.2987 45 2.7879 48 3.1635 70 3.0075 75 2.9568 76 2.1983 86 2.0375 87 3.0075 75 2.7879 48 2.9568 76 42 Na ,Na 3.348 10 2.181 64 3.0652 70 3.0866 75 1.9987 86 2.1993 87 2.8875 48 3.0652 70 2.951 76 2.8874 48 2.9509 76 43 Na ,Na 3.348 10 3.0918 53 2.3995 56 2.8478 60 1.2193 90 2.51 91 3.0918 53 3.3475 90 3.3474 90 2.3995 56 2.8478 60 44 Na ,Na 3.348 5 2.0525 59 3.2152 64 2.4235 49 2.0525 59 2.4235 49 45 O 3.804 10 3.6104 48 2.6444 56 3.5396 75 2.587 76 2.5963 50 3.5397 75 3.6104 48 2.6444 56 2.587 76 2.5963 50 46 O 3.804 9 3.2675 62 2.6948 74 2.5535 77 3.1702 49 2.8619 71 3.4318 59 2.6948 74 3.1702 49 3.4318 59 47 O 3.804 11 2.7341 75 3.3684 88 3.1856 56 3.343 60 3.3529 65 2.7678 73 2.7026 76 3.3683 88 3.1855 56 3.3429 60 2.7026 76 48 O 3.804 10 3.6104 45 3.5535 61 3.7106 66 2.6026 70 2.7392 80 2.6795 59 2.5849 64 2.5035 48 3.717 50 2.6433 52 49 O 3.804 8 2.695 68 3.1702 46 3.2276 57 3.3913 80 2.6678 67 3.2773 49 2.6605 74 3.0621 59 50 O 3.804 10 3.0288 52 3.0847 55 2.8887 66 3.623 72 3.5384 82 2.5963 45 3.717 48 2.8043 50 2.6973 56 2.6583 76 51 O 3.804 10 3.5274 53 2.7027 60 2.6058 69 3.591 74 3.5273 53 2.6432 63 2.7027 60 2.6058 69 3.591 74 2.6432 63 52 O 3.804 11 3.0288 50 2.8123 55 3.053 66 3.7649 71 3.5854 84 3.5453 94 2.623 64 2.6886 59 2.6431 48 2.9325 52 3.5683 76 53 O 3.804 12 3.5274 51 2.6456 63 2.7182 78 3.7821 85 2.58 90 2.6482 91 3.5273 51 2.535 53 2.535 53 2.58 90 3.5105 90 2.6457 63 54 O 3.804 10 2.6825 62 3.7868 93 2.7142 57 2.6824 62 2.9333 67 2.7952 69 3.708 74 2.7951 69 3.7079 74 2.9331 67 55 O 3.804 11 3.0847 50 2.8123 52 2.5577 65 2.6986 72 3.7573 76 3.7248 84 2.8946 94 2.5576 65 3.0846 50 2.8123 52 3.7572 76 56 O 3.804 10 2.6444 45 2.8189 60 3.4421 72 2.6832 76 3.4082 78 3.6325 88 3.2183 90 3.1856 47 2.8569 56 2.6973 50 57 O 3.804 8 2.6349 62 3.2276 49 2.7142 54 2.6351 62 3.7263 67 2.7902 80 3.2277 49 3.7264 67 58 O 3.804 10 3.4691 63 2.6474 73 3.284 78 2.6222 79 3.786 92 2.673 58 2.673 58 2.6475 73 2.6221 79 3.469 63 59 O 3.804 8 2.6795 48 2.6901 64 3.2497 71 3.2163 80 3.432 46 2.6886 52 3.2003 59 3.0627 49 60 O 3.804 9 2.7027 51 2.8189 56 2.6391 69 3.2501 78 3.0494 88 3.343 47 3.2964 73 3.0336 60 2.6697 63 61 O 3.804 9 3.5535 48 2.5495 66 2.6801 71 3.3166 80 2.616 61 2.616 61 2.5495 66 2.6801 71 3.5535 48 62 O 3.804 9 3.2675 46 2.6825 54 2.6349 57 3.5825 74 2.6824 54 2.6351 57 2.6475 62 2.6475 62 3.5825 74 63 O 3.804 10 2.6456 53 3.4691 58 3.6773 68 2.711 78 2.6432 51 3.6104 79 3.5577 67 2.6697 60 2.5635 63 2.6074 69 64 O 3.804 10 3.5367 70 2.5849 48 2.623 52 2.6901 59 3.5366 70 3.6861 76 2.5848 48 3.6861 76 2.623 52 2.69 59 65 O 3.804 10 2.5577 55 2.6549 72 3.6035 76 3.6566 94 3.3529 47 2.5576 55 2.6188 65 2.6188 65 2.6548 72 3.6034 76 66 O 3.804 9 3.7106 48 2.8887 50 3.053 52 2.5495 61 2.6927 71 2.5495 61 3.7106 48 2.8888 50 3.0531 52 67 O 3.804 10 3.5426 92 2.9333 54 3.7263 57 2.5895 68 3.0016 69 2.6584 74 2.816 79 2.6678 49 3.5577 63 2.8484 67 68 O 3.804 10 2.695 49 3.6773 63 2.6171 74 3.6878 77 2.5895 67 3.6879 77 2.5895 67 2.695 49 3.6773 63 2.617 74 69 O 3.804 10 2.6058 51 2.6391 60 3.6555 74 3.0641 79 3.5283 93 2.7952 54 3.0016 67 3.6369 73 2.6073 63 2.8527 69 70 O 3.804 9 2.6026 48 3.5367 64 2.6565 80 2.6934 86 3.7513 87 3.5366 64 2.5962 70 2.5962 70 2.6026 48 71 O 3.804 8 3.7649 52 2.6801 61 2.6927 66 3.2497 59 2.6801 61 2.8624 46 3.2497 59 3.765 52 72 O 3.804 8 3.623 50 2.6986 55 3.4421 56 2.6549 65 2.7194 78 2.6548 65 3.6229 50 3.442 56 73 O 3.804 8 2.6474 58 2.7678 47 2.6475 58 3.2964 60 3.6369 69 2.6484 79 3.2964 60 3.6369 69 74 O 3.804 10 2.6948 46 3.591 51 3.5825 62 2.6171 68 3.6555 69 2.6489 77 3.708 54 2.6584 67 2.5078 74 2.6607 49 75 O 3.804 14 3.5396 45 2.7341 47 3.6025 86 2.5518 87 2.8155 88 3.0072 89 3.5396 45 2.5334 75 2.5334 75 2.5033 76 2.8155 88 3.7454 88 2.8523 95 2.5032 76 76 O 3.804 10 2.587 45 3.7573 55 2.6832 56 3.6035 65 2.7026 47 3.6861 64 2.5033 75 2.6582 50 3.5683 52 2.5392 76 77 O 3.804 8 2.5535 46 3.6878 68 2.6489 74 2.6961 85 3.6879 68 2.5733 77 2.5733 77 2.6489 74 78 O 3.804 11 2.7182 53 3.4082 56 3.284 58 3.2501 60 2.711 63 2.7194 72 3.3701 90 3.3702 90 3.4081 56 3.25 60 2.711 63 79 O 3.804 10 2.6222 58 3.0641 69 2.9831 92 2.6221 58 3.6104 63 2.816 67 2.6484 73 3.6103 63 2.816 67 3.064 69 80 O 3.804 9 2.7392 48 3.3166 61 2.6565 70 3.2163 59 2.7907 57 3.3915 49 2.7392 48 3.2163 59 3.3915 49 81 Cl ,Cl 4.344 16 4.0155 49 4.3111 67 2.9204 92 4.0161 49 4.0145 49 4.3124 67 4.3117 67 3.9722 70 3.9718 70 3.9718 70 4.0146 49 4.3116 67 4.0155 49 4.016 49 4.3112 67 4.3123 67 82 Cl ,Cl 4.344 13 3.5384 50 3.8181 66 3.5306 90 3.2557 91 3.5384 50 3.5385 50 3.8181 66 3.8182 66 3.5306 90 3.5306 90 3.5384 50 3.5384 50 3.5385 50 83 Cl ,Cl 4.344 17 4.3167 52 3.9819 59 1.7986 84 2.9692 94 4.3172 52 4.3159 52 3.9835 59 3.9826 59 3.8887 77 3.8886 77 3.8882 77 4.316 52 3.9825 59 4.3167 52 4.3171 52 3.9821 59 3.9834 59 84 Cl ,Cl 4.344 11 3.5854 52 3.7248 55 1.7986 83 1.1706 94 3.586 52 3.5845 52 3.7248 55 3.7239 55 3.5846 52 3.5854 52 3.5859 52 85 OH 3.852 12 3.7821 53 3.8253 74 2.6961 77 3.7821 53 3.7821 53 3.8252 74 3.8253 74 2.696 77 2.6961 77 3.8253 74 3.8252 74 3.8253 74 86 OH ,OH 3.852 7 2.6934 70 3.6025 75 1.2011 87 2.6928 70 2.6934 70 3.6025 75 3.6029 75 87 OH ,OH 3.852 7 3.7513 70 2.5518 75 1.2011 86 3.7509 70 3.7513 70 2.5518 75 2.5524 75 88 OH ,OH 3.852 14 3.3684 47 3.6325 56 3.0494 60 2.8155 75 1.4052 89 3.5123 93 3.3683 47 3.7454 75 2.8155 75 2.4082 88 2.4082 88 1.3913 95 3.6325 56 3.0494 60 89 OH ,OH 3.852 8 3.0072 75 1.4052 88 3.0241 93 3.0072 75 3.0078 75 1.4041 88 1.4052 88 0.1792 95 90 OH ,OH 3.852 13 2.58 53 3.2183 56 3.821 60 3.3701 78 3.5306 82 1.2911 91 3.5105 53 2.58 53 3.3702 78 2.2356 90 2.2356 90 3.2183 56 3.821 60 91 OH ,OH 3.852 10 2.6482 53 3.8172 78 3.2557 82 1.2911 90 2.6482 53 2.6483 53 3.8172 78 3.8173 78 1.291 90 1.2911 90 92 H(2)O,H(2)O 3.972 13 3.786 58 3.5426 67 2.9831 79 2.9204 81 3.786 58 3.7854 58 3.5441 67 3.5432 67 2.982 79 2.982 79 3.5431 67 3.5427 67 3.544 67 93 H(2)O 3.972 14 3.7868 54 3.5283 69 3.5123 88 3.0241 89 3.7868 54 3.7875 54 3.5271 69 3.5276 69 3.5119 88 3.5123 88 3.2033 95 3.5275 69 3.5285 69 3.527 69 94 H(2)O,H(2)O 3.972 14 3.5453 52 2.8946 55 3.6566 65 2.9692 83 1.1706 84 3.546 52 3.5444 52 2.8946 55 2.8935 55 3.656 65 3.656 65 3.5445 52 3.5454 52 3.5458 52 95 H(2)O,H(2)O 3.972 11 3.8239 47 2.8528 75 1.3913 88 0.1786 89 3.2027 93 3.8228 47 3.8239 47 2.8523 75 2.8528 75 1.3902 88 1.3902 88 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 2.523 5.045 0.025 1029.49 2 67.7 8.2 2 1 0 1 4.241 8.482 0.041 362.7 6 49.3 4.6 3 1 0 -2 4.485 8.97 0.044 324.08 6 186.9 59.1 4 0 0 6 5.05 10.1 0.049 255.14 2 139.6 8.6 5 1 0 4 5.351 10.703 0.052 226.97 6 86.4 8.9 6 1 0 -5 5.919 11.838 0.058 185.09 6 50.0 2.4 7 1 1 0 7.212 14.425 0.07 123.93 6 649.6 273.0 8 1 0 7 7.221 14.442 0.07 123.62 6 45.7 1.3 9 0 0 9 7.587 15.175 0.074 111.77 2 97.8 1.9 10 1 1 3 7.645 15.29 0.074 110.05 12 45.7 2.4 11 1 0 -8 7.929 15.858 0.077 102.16 6 445.8 106.0 12 2 0 -1 8.378 16.757 0.081 91.26 6 146.2 10.2 13 2 0 2 8.506 17.012 0.083 88.48 6 378.5 66.2 14 1 1 6 8.82 17.64 0.086 82.13 12 43.2 1.6 15 2 0 -4 8.998 17.996 0.087 78.83 6 687.5 194.5 16 2 0 5 9.35 18.701 0.091 72.84 6 108.7 4.5 17 1 0 10 9.418 18.836 0.091 71.77 6 161.9 9.8 18 0 0 12 10.14 20.279 0.098 61.62 2 489.6 25.7 19 1 0 -11 10.19 20.38 0.099 60.99 6 87.0 2.4 20 2 0 -7 10.233 20.467 0.099 60.45 6 12.7 0.1 21 1 1 9 10.498 20.996 0.102 57.34 12 46.5 1.3 22 2 0 8 10.75 21.5 0.104 54.58 6 187.5 10.0 23 2 1 1 11.089 22.178 0.108 51.17 12 53.7 1.5 24 2 1 -2 11.187 22.374 0.108 50.24 12 164.8 14.3 25 2 1 4 11.569 23.139 0.112 46.84 12 78.3 3.0 26 1 0 13 11.773 23.545 0.114 45.16 6 22.3 0.1 27 2 1 -5 11.849 23.697 0.115 44.56 12 19.3 0.2 28 2 0 -10 11.903 23.805 0.115 44.13 6 1019.8 239.6 29 1 1 12 12.488 24.975 0.121 39.91 12 423.3 74.7 30 2 0 11 12.529 25.058 0.121 39.63 6 7.8 0.0 31 3 0 0 12.56 25.119 0.122 39.43 6 227.2 10.6 32 2 1 7 12.565 25.129 0.122 39.39 12 53.5 1.2 33 1 0 -14 12.58 25.16 0.122 39.29 6 357.3 26.2 34 0 0 15 12.713 25.425 0.123 38.44 2 134.4 1.2 35 3 0 -3 12.818 25.637 0.124 37.77 6 57.6 0.7 36 3 0 3 12.818 25.637 0.124 37.77 6 30.1 0.2 37 2 1 -8 12.993 25.987 0.126 36.7 12 399.2 61.1 38 3 0 -6 13.568 27.135 0.131 33.5 6 754.5 99.6 39 3 0 6 13.568 27.135 0.131 33.5 6 188.3 6.2 40 2 0 -13 13.861 27.721 0.134 32.01 6 63.8 0.7 41 2 1 10 13.973 27.945 0.135 31.47 12 389.0 49.7 42 1 0 16 14.221 28.443 0.137 30.31 6 577.3 52.7 43 2 1 -11 14.515 29.031 0.14 29.01 12 174.2 9.2 44 2 2 0 14.542 29.085 0.14 28.9 6 778.4 91.4 45 2 0 14 14.56 29.121 0.141 28.82 6 709.9 75.8 46 1 1 15 14.676 29.352 0.142 28.34 12 38.0 0.4 47 3 0 -9 14.738 29.476 0.142 28.09 6 191.4 5.4 48 3 0 9 14.738 29.476 0.142 28.09 6 38.0 0.2 49 2 2 3 14.769 29.538 0.143 27.96 12 104.7 3.2 50 1 0 -17 15.054 30.107 0.145 26.84 6 11.2 0.0 51 3 1 -1 15.174 30.349 0.146 26.38 12 54.7 0.8 52 3 1 2 15.247 30.495 0.147 26.11 12 690.5 130.0 53 0 0 18 15.312 30.624 0.148 25.88 2 278.2 3.5 54 2 2 6 15.431 30.862 0.149 25.45 12 384.5 39.3 55 3 1 -4 15.537 31.073 0.15 25.08 12 382.1 38.2 56 2 1 13 15.692 31.384 0.151 24.55 12 155.6 6.2 57 3 1 5 15.75 31.501 0.152 24.35 12 301.2 23.1 58 2 0 -16 16.015 32.03 0.154 23.49 6 984.7 118.9 59 3 0 -12 16.247 32.495 0.156 22.77 6 455.2 24.6 60 3 0 12 16.247 32.495 0.156 22.77 6 600.8 42.9 61 3 1 -7 16.308 32.616 0.157 22.59 12 239.4 13.5 62 2 1 -14 16.32 32.64 0.157 22.55 12 549.9 71.2 63 2 2 9 16.481 32.962 0.159 22.08 12 193.4 8.6 64 3 1 8 16.648 33.296 0.16 21.6 12 201.5 9.2 65 1 0 19 16.739 33.478 0.161 21.35 6 112.4 1.4 66 2 0 17 16.767 33.533 0.161 21.27 6 206.6 4.7 67 4 0 1 16.876 33.753 0.162 20.97 6 215.9 5.1 68 4 0 -2 16.943 33.886 0.163 20.79 6 128.7 1.8 69 1 1 18 17.002 34.003 0.163 20.64 12 566.9 69.2 70 4 0 4 17.207 34.413 0.165 20.1 6 329.8 11.4 71 4 0 -5 17.402 34.804 0.167 19.62 6 259.0 6.9 72 3 1 -10 17.44 34.88 0.168 19.52 12 1472.8 442.1 73 1 0 -20 17.592 35.184 0.169 19.16 6 86.8 0.8 74 2 1 16 17.645 35.289 0.169 19.03 12 576.3 66.0 75 2 2 12 17.858 35.716 0.171 18.54 12 481.2 44.8 76 3 1 11 17.888 35.776 0.172 18.47 12 319.9 19.7 77 4 0 7 17.914 35.828 0.172 18.41 6 274.9 7.3 78 0 0 21 17.944 35.888 0.172 18.34 2 104.2 0.3 79 3 0 -15 18.022 36.043 0.173 18.17 6 100.7 1.0 80 3 0 15 18.022 36.043 0.173 18.17 6 41.3 0.2 81 4 0 -8 18.228 36.455 0.175 17.72 6 2139.1 423.4 82 2 0 -19 18.312 36.624 0.176 17.54 6 116.2 1.2 83 2 1 -17 18.337 36.675 0.176 17.49 12 93.0 1.6 84 3 2 1 18.439 36.878 0.177 17.28 12 100.2 1.8 85 3 2 -2 18.5 37.001 0.177 17.15 12 83.8 1.3 86 3 2 4 18.745 37.49 0.18 16.66 12 289.1 14.5 87 3 1 -13 18.877 37.754 0.181 16.41 12 175.2 5.3 88 3 2 -5 18.927 37.853 0.181 16.31 12 49.8 0.4 89 4 0 10 18.962 37.924 0.182 16.25 6 92.0 0.7 90 2 0 20 19.103 38.207 0.183 15.98 6 1008.2 84.8 91 1 0 22 19.317 38.634 0.185 15.59 6 148.3 1.8 92 4 0 -11 19.38 38.759 0.185 15.48 6 53.2 0.2 93 4 1 0 19.4 38.801 0.186 15.44 12 419.4 28.4 94 3 2 7 19.404 38.808 0.186 15.44 12 88.9 1.3 95 3 1 14 19.414 38.829 0.186 15.42 12 938.6 141.8 96 1 1 21 19.432 38.864 0.186 15.39 12 46.0 0.3 97 2 2 15 19.504 39.009 0.187 15.26 12 250.3 10.0 98 4 1 -3 19.577 39.154 0.187 15.14 12 135.3 2.9 99 4 1 3 19.577 39.154 0.187 15.14 12 19.9 0.1 100 3 2 -8 19.697 39.394 0.188 14.93 12 550.9 47.3 101 2 1 19 19.776 39.552 0.189 14.8 12 71.8 0.8 102 3 0 -18 20.004 40.008 0.191 14.43 6 396.8 11.9 103 3 0 18 20.004 40.008 0.191 14.43 6 1267.2 121.0 104 4 1 -6 20.098 40.197 0.192 14.28 12 159.5 3.8 105 4 1 6 20.098 40.197 0.192 14.28 12 115.4 2.0 106 1 0 -23 20.189 40.379 0.193 14.14 6 123.3 1.1 107 4 0 13 20.307 40.613 0.194 13.96 6 205.2 3.1 108 3 2 10 20.387 40.773 0.195 13.83 12 56.4 0.5 109 2 1 -20 20.52 41.039 0.196 13.63 12 218.2 6.8 110 3 1 -16 20.566 41.132 0.196 13.57 12 192.3 5.2 111 0 0 24 20.616 41.231 0.197 13.49 2 1188.4 33.2 112 2 0 -22 20.721 41.442 0.198 13.34 6 203.1 2.9 113 3 2 -11 20.78 41.56 0.198 13.26 12 201.1 5.6 114 4 0 -14 20.813 41.626 0.199 13.21 6 73.1 0.4 115 4 1 -9 20.943 41.887 0.2 13.02 12 42.6 0.2 116 4 1 9 20.943 41.887 0.2 13.02 12 116.9 1.9 117 3 1 17 21.177 42.354 0.202 12.71 12 295.6 11.6 118 5 0 -1 21.267 42.535 0.203 12.58 6 44.3 0.1 119 5 0 2 21.322 42.644 0.203 12.51 6 789.7 40.7 120 2 2 18 21.37 42.741 0.204 12.45 12 467.2 28.4 121 5 0 -4 21.54 43.079 0.205 12.23 6 182.5 2.1 122 2 0 23 21.546 43.092 0.205 12.22 6 83.8 0.4 123 3 2 13 21.657 43.314 0.206 12.08 12 108.6 1.5 124 5 0 5 21.702 43.403 0.207 12.03 6 165.7 1.7 125 4 0 16 21.904 43.807 0.209 11.78 6 502.1 15.5 126 1 1 24 21.951 43.902 0.209 11.72 12 107.4 1.4 127 1 0 25 21.954 43.908 0.209 11.72 6 177.6 1.9 128 2 1 22 22.051 44.102 0.21 11.6 12 164.3 3.3 129 4 1 -12 22.082 44.164 0.21 11.57 12 97.1 1.1 130 4 1 12 22.082 44.164 0.21 11.57 12 407.1 20.0 131 3 3 0 22.126 44.252 0.211 11.51 6 785.1 37.0 132 5 0 -7 22.129 44.258 0.211 11.51 6 78.0 0.4 133 3 2 -14 22.138 44.277 0.211 11.5 12 51.1 0.3 134 3 0 -21 22.154 44.308 0.211 11.48 6 158.5 1.5 135 3 0 21 22.154 44.308 0.211 11.48 6 195.1 2.3 136 3 3 3 22.284 44.569 0.212 11.33 12 191.9 4.4 137 5 0 8 22.393 44.785 0.213 11.21 6 129.0 1.0 138 3 1 -19 22.464 44.928 0.214 11.13 12 138.2 2.2 139 4 0 -17 22.485 44.971 0.214 11.1 6 96.3 0.5 140 4 2 -1 22.571 45.143 0.215 11.01 12 159.8 2.9 141 4 2 2 22.623 45.247 0.215 10.95 12 801.2 73.4 142 3 3 6 22.755 45.51 0.216 10.81 12 282.8 9.0 143 4 2 -4 22.831 45.662 0.217 10.73 12 161.8 2.9 144 2 1 -23 22.837 45.675 0.217 10.72 12 124.8 1.7 145 1 0 -26 22.847 45.693 0.217 10.71 6 207.1 2.4 146 4 2 5 22.986 45.972 0.218 10.56 12 61.8 0.4 147 5 0 -10 23.016 46.032 0.219 10.53 6 136.6 1.0 148 3 1 20 23.137 46.274 0.22 10.41 12 219.3 5.2 149 3 2 16 23.179 46.358 0.22 10.37 12 436.8 20.7 150 2 0 -25 23.227 46.455 0.22 10.32 6 77.6 0.3 151 0 0 27 23.335 46.67 0.221 10.21 2 98.1 0.2 152 5 0 11 23.374 46.748 0.222 10.17 6 62.9 0.2 153 4 2 -7 23.395 46.789 0.222 10.15 12 125.5 1.7 154 2 2 21 23.419 46.837 0.222 10.13 12 161.0 2.7 155 4 1 -15 23.481 46.962 0.223 10.07 12 140.4 2.1 156 4 1 15 23.481 46.962 0.223 10.07 12 88.1 0.8 157 3 3 9 23.523 47.046 0.223 10.03 12 74.1 0.6 158 4 2 8 23.647 47.295 0.224 9.91 12 35.4 0.1 159 4 0 19 23.716 47.431 0.225 9.84 6 208.9 2.2 160 3 2 -17 23.736 47.472 0.225 9.82 12 80.4 0.7 161 5 1 1 23.819 47.637 0.226 9.75 12 128.5 1.7 162 5 1 -2 23.869 47.737 0.226 9.7 12 242.1 5.9 163 5 1 4 24.068 48.136 0.228 9.52 12 511.1 26.0 164 2 0 26 24.083 48.166 0.228 9.5 6 147.3 1.1 165 5 0 -13 24.176 48.352 0.229 9.42 6 324.5 5.2 166 5 1 -5 24.217 48.433 0.229 9.39 12 28.5 0.1 167 4 2 -10 24.246 48.492 0.23 9.36 12 681.0 45.3 168 4 0 -20 24.362 48.724 0.231 9.26 6 1312.8 83.3 169 3 0 -24 24.446 48.892 0.231 9.19 6 82.3 0.3 170 3 0 24 24.446 48.892 0.231 9.19 6 237.7 2.7 171 2 1 25 24.449 48.898 0.231 9.18 12 89.8 0.8 172 3 1 -22 24.538 49.076 0.232 9.11 12 572.2 31.1 173 1 1 27 24.553 49.105 0.232 9.1 12 72.2 0.5 174 3 3 12 24.567 49.134 0.232 9.08 12 165.1 2.6 175 4 2 11 24.59 49.18 0.233 9.07 12 57.4 0.3 176 5 1 7 24.61 49.22 0.233 9.05 12 136.6 1.8 177 5 0 14 24.619 49.237 0.233 9.04 6 489.2 11.3 178 1 0 28 24.653 49.307 0.233 9.01 6 799.3 30.1 179 5 1 -8 24.853 49.707 0.235 8.85 12 431.9 17.2 180 3 2 19 24.919 49.838 0.236 8.79 12 114.6 1.2 181 4 1 -18 25.109 50.218 0.237 8.64 12 120.7 1.3 182 4 1 18 25.109 50.218 0.237 8.64 12 371.2 12.4 183 3 1 23 25.265 50.529 0.239 8.52 12 61.2 0.3 184 2 1 -26 25.273 50.546 0.239 8.52 12 87.9 0.7 185 4 2 -13 25.363 50.726 0.239 8.45 12 177.8 2.8 186 5 1 10 25.43 50.861 0.24 8.4 12 346.7 10.5 187 3 2 -20 25.543 51.085 0.241 8.31 12 602.1 31.5 188 1 0 -29 25.568 51.136 0.241 8.29 6 164.9 1.2 189 5 0 -16 25.582 51.163 0.241 8.28 6 469.0 9.5 190 2 2 24 25.624 51.247 0.242 8.25 12 308.0 8.2 191 4 0 22 25.713 51.426 0.243 8.19 6 176.8 1.3 192 5 1 -11 25.763 51.526 0.243 8.15 12 213.5 3.9 193 6 0 0 25.779 51.559 0.243 8.14 6 287.7 3.5 194 4 2 14 25.791 51.581 0.243 8.13 12 385.1 12.6 195 2 0 -28 25.824 51.648 0.244 8.11 6 249.2 2.6 196 3 3 15 25.863 51.726 0.244 8.08 12 42.7 0.2 197 6 0 -3 25.921 51.842 0.244 8.04 6 76.9 0.2 198 6 0 3 25.921 51.842 0.244 8.04 6 129.1 0.7 199 5 0 17 26.1 52.201 0.246 7.91 6 160.9 1.1 200 0 0 30 26.112 52.223 0.246 7.91 2 292.4 1.2 201 4 3 1 26.177 52.355 0.247 7.86 12 58.0 0.3 202 4 3 -2 26.224 52.448 0.247 7.83 12 464.1 17.6 203 6 0 -6 26.342 52.684 0.248 7.75 6 35.6 0.1 204 6 0 6 26.342 52.684 0.248 7.75 6 718.1 20.9 205 4 3 4 26.41 52.82 0.249 7.7 12 203.5 3.3 206 4 0 -23 26.416 52.832 0.249 7.7 6 56.9 0.1 207 5 1 13 26.511 53.022 0.25 7.64 12 36.0 0.1 208 4 3 -5 26.549 53.099 0.25 7.61 12 7.3 0.0 209 2 0 29 26.71 53.42 0.251 7.51 6 167.5 1.1 210 4 2 -16 26.723 53.446 0.251 7.5 12 824.9 53.3 211 3 1 -25 26.767 53.533 0.252 7.47 12 42.8 0.1 212 3 2 22 26.85 53.701 0.252 7.42 12 220.4 3.8 213 3 0 -27 26.864 53.728 0.253 7.41 6 92.1 0.3 214 3 0 27 26.864 53.728 0.253 7.41 6 68.7 0.2 215 5 2 0 26.915 53.83 0.253 7.38 12 55.4 0.2 216 4 3 7 26.918 53.835 0.253 7.38 12 48.4 0.2 217 5 1 -14 26.926 53.851 0.253 7.37 12 66.0 0.3 218 4 1 -21 26.939 53.879 0.253 7.36 12 136.6 1.4 219 4 1 21 26.939 53.879 0.253 7.36 12 28.9 0.1 220 2 1 28 26.958 53.917 0.253 7.35 12 188.1 2.7 221 6 0 -9 27.033 54.067 0.254 7.31 6 75.0 0.2 222 6 0 9 27.033 54.067 0.254 7.31 6 199.6 1.5 223 5 2 -3 27.052 54.104 0.254 7.29 12 62.3 0.3 224 5 2 3 27.052 54.104 0.254 7.29 12 56.6 0.2 225 4 3 -8 27.146 54.292 0.255 7.24 12 388.0 11.4 226 5 0 -19 27.208 54.416 0.256 7.2 6 33.1 0.0 227 4 2 17 27.226 54.453 0.256 7.19 12 54.1 0.2 228 1 1 30 27.237 54.475 0.256 7.18 12 338.3 8.6 229 3 3 18 27.387 54.773 0.257 7.09 12 485.6 17.5 230 1 0 31 27.421 54.843 0.257 7.07 6 90.8 0.3 231 5 2 -6 27.461 54.922 0.258 7.05 12 31.9 0.1 232 5 2 6 27.461 54.922 0.258 7.05 12 220.5 3.6 233 3 2 -23 27.533 55.066 0.258 7.01 12 70.6 0.4 234 3 1 26 27.541 55.082 0.258 7.0 12 363.4 9.7 235 4 3 10 27.689 55.378 0.26 6.92 12 148.5 1.6 236 5 0 20 27.795 55.59 0.261 6.86 6 233.4 2.0 237 2 1 -29 27.819 55.638 0.261 6.85 12 22.6 0.0 238 5 1 16 27.832 55.663 0.261 6.84 12 106.5 0.8 239 4 0 25 27.874 55.748 0.261 6.81 6 157.3 0.9 240 2 2 27 27.969 55.937 0.262 6.76 12 168.9 2.0 241 6 0 -12 27.982 55.963 0.262 6.76 6 882.1 27.4 242 6 0 12 27.982 55.963 0.262 6.76 6 591.8 12.4 243 4 3 -11 28.003 56.005 0.262 6.74 12 17.1 0.0 244 5 2 -9 28.134 56.267 0.264 6.67 12 38.7 0.1 245 5 2 9 28.134 56.267 0.264 6.67 12 52.2 0.2 246 4 2 -19 28.304 56.607 0.265 6.58 12 174.8 2.1 247 5 1 -17 28.322 56.643 0.265 6.57 12 59.9 0.2 248 1 0 -32 28.361 56.722 0.266 6.55 6 559.9 10.7 249 6 1 -1 28.395 56.789 0.266 6.53 12 100.6 0.7 250 6 1 2 28.439 56.877 0.266 6.51 12 604.0 24.8 251 2 0 -31 28.512 57.024 0.267 6.47 6 65.6 0.1 252 6 1 -4 28.615 57.23 0.268 6.42 12 488.9 16.0 253 4 0 -26 28.628 57.256 0.268 6.41 6 146.2 0.7 254 4 3 13 28.711 57.422 0.269 6.37 12 21.5 0.0 255 6 1 5 28.747 57.494 0.269 6.36 12 56.0 0.2 256 4 2 20 28.876 57.752 0.27 6.29 12 364.6 8.7 257 4 1 -24 28.95 57.901 0.271 6.25 12 515.9 17.4 258 4 1 24 28.95 57.901 0.271 6.25 12 330.5 7.1 259 3 2 25 28.953 57.906 0.271 6.25 12 89.7 0.5 260 0 0 33 28.956 57.912 0.271 6.25 2 220.8 0.5 261 5 0 -22 29.033 58.065 0.271 6.21 6 246.2 2.0 262 5 2 -12 29.058 58.116 0.272 6.2 12 224.2 3.3 263 5 2 12 29.058 58.116 0.272 6.2 12 561.1 20.4 264 6 1 -7 29.096 58.193 0.272 6.18 12 51.2 0.2 265 4 3 -14 29.104 58.208 0.272 6.18 12 373.7 9.0 266 3 3 21 29.117 58.234 0.272 6.17 12 118.5 0.9 267 3 1 -28 29.135 58.27 0.272 6.17 12 18.4 0.0 268 6 0 -15 29.171 58.341 0.272 6.15 6 202.4 1.3 269 6 0 15 29.171 58.341 0.272 6.15 6 156.4 0.8 270 6 1 8 29.314 58.627 0.274 6.08 12 376.6 9.0 271 5 1 19 29.372 58.745 0.274 6.05 12 41.1 0.1 272 3 0 -30 29.4 58.801 0.274 6.04 6 151.7 0.7 273 3 0 30 29.4 58.801 0.274 6.04 6 277.0 2.4 274 2 0 32 29.428 58.857 0.275 6.03 6 271.3 2.3 275 2 1 31 29.576 59.151 0.276 5.96 12 154.8 1.5 276 5 0 23 29.682 59.364 0.277 5.91 6 84.0 0.2 277 3 2 -26 29.69 59.379 0.277 5.91 12 381.0 9.0 278 6 1 -10 29.831 59.661 0.278 5.85 12 207.7 2.6 279 5 1 -20 29.932 59.863 0.279 5.8 12 503.0 15.3 280 3 1 29 29.954 59.909 0.279 5.79 12 117.4 0.8 281 4 3 16 29.967 59.934 0.279 5.79 12 191.7 2.2 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 2.523 5.045 20.323 8.2 1.9 1.9 5.5 2 1 0 1 4.241 8.482 12.09475 4.6 1.0 1.1 5.6 3 1 0 2 4.485 8.97 11.43839 59.1 13.4 13.6 5.6 4 0 0 6 5.05 10.1 10.1615 8.6 2.0 2.0 5.6 5 1 0 4 5.351 10.703 9.59088 8.9 2.0 2.0 5.6 6 1 1 0 7.212 14.425 7.1245 274.4 62.1 63.0 5.6 7 1 0 8 7.929 15.858 6.48419 106.0 24.0 24.3 5.6 8 2 0 1 8.378 16.757 6.13864 10.2 2.3 2.3 5.6 9 2 0 2 8.506 17.012 6.04738 66.2 15.0 15.2 5.6 10 2 0 4 8.998 17.996 5.71919 194.5 44.0 44.6 5.6 11 2 0 5 9.35 18.701 5.50535 4.5 1.0 1.0 5.6 12 1 0 10 9.418 18.836 5.46612 9.8 2.2 2.2 5.6 13 0 0 12 10.14 20.279 5.08075 25.7 5.8 5.9 5.6 14 2 0 8 10.75 21.5 4.79544 10.0 2.3 2.3 5.6 15 2 1 2 11.187 22.374 4.61043 14.3 3.2 3.3 5.6 16 2 0 10 11.903 23.805 4.33677 239.6 54.2 54.7 5.6 17 1 1 12 12.488 24.975 4.13662 74.7 16.9 17.0 5.6 18 1 0 14 12.58 25.16 4.10669 38.0 8.6 8.7 5.6 19 2 1 8 12.993 25.987 3.97821 61.1 13.8 13.9 5.6 20 3 0 6 13.568 27.135 3.8128 105.8 23.9 24.1 5.6 21 2 1 10 13.973 27.945 3.70444 49.7 11.2 11.3 5.6 22 1 0 16 14.221 28.443 3.64092 52.7 11.9 12.0 5.6 23 2 2 0 14.542 29.085 3.56225 176.4 39.9 40.1 5.6 24 3 0 9 14.738 29.476 3.51595 5.6 1.3 1.3 5.6 25 3 1 2 15.247 30.495 3.40113 130.0 29.4 29.5 5.6 26 2 2 6 15.431 30.862 3.36167 39.3 8.9 8.9 5.6 27 3 1 4 15.537 31.073 3.33935 38.2 8.6 8.7 5.6 28 2 1 13 15.692 31.384 3.3071 6.2 1.4 1.4 5.6 29 3 1 5 15.75 31.501 3.29517 23.1 5.2 5.2 5.6 30 2 0 16 16.015 32.03 3.24209 118.9 26.9 27.0 5.6 31 3 0 12 16.247 32.495 3.19696 67.6 15.3 15.3 5.6 32 2 1 14 16.32 32.64 3.18308 84.7 19.2 19.2 5.6 33 2 2 9 16.481 32.962 3.15291 8.6 1.9 2.0 5.6 34 3 1 8 16.648 33.296 3.12212 9.2 2.1 2.1 5.6 35 2 0 17 16.767 33.533 3.10065 6.1 1.4 1.4 5.7 36 4 0 1 16.876 33.753 3.08106 5.1 1.2 1.2 5.7 37 1 1 18 17.002 34.003 3.05905 69.2 15.7 15.7 5.7 38 4 0 4 17.207 34.413 3.02369 11.4 2.6 2.6 5.7 39 4 0 5 17.402 34.804 2.99077 6.9 1.6 1.6 5.7 40 3 1 10 17.44 34.88 2.98443 442.1 100.0 100.0 5.7 41 2 1 16 17.645 35.289 2.95092 66.0 14.9 14.9 5.7 42 2 2 12 17.858 35.716 2.91676 44.8 10.1 10.1 5.7 43 3 1 11 17.888 35.776 2.91207 27.0 6.1 6.1 5.7 44 4 0 8 18.228 36.455 2.8596 423.4 95.8 95.6 5.7 45 3 2 4 18.745 37.49 2.78339 14.5 3.3 3.3 5.7 46 3 1 13 18.877 37.754 2.76463 5.3 1.2 1.2 5.7 47 2 0 20 19.103 38.207 2.73306 84.8 19.2 19.1 5.7 48 3 1 14 19.414 38.829 2.69094 171.5 38.8 38.6 5.7 49 2 2 15 19.504 39.009 2.679 10.0 2.3 2.2 5.7 50 3 2 8 19.697 39.394 2.65381 47.3 10.7 10.7 5.7 51 3 0 18 20.004 40.008 2.61474 132.8 30.0 29.9 5.7 52 4 1 6 20.098 40.197 2.60296 5.8 1.3 1.3 5.7 53 2 1 20 20.52 41.039 2.55175 6.8 1.5 1.5 5.7 54 3 1 16 20.566 41.132 2.54625 5.2 1.2 1.2 5.7 55 0 0 24 20.616 41.231 2.54038 33.2 7.5 7.5 5.7 56 3 2 11 20.78 41.56 2.52116 5.6 1.3 1.3 5.7 57 3 1 17 21.177 42.354 2.47599 11.6 2.6 2.6 5.7 58 5 0 2 21.322 42.644 2.45995 40.7 9.2 9.1 5.7 59 2 2 18 21.37 42.741 2.45465 28.4 6.4 6.4 5.7 60 4 0 16 21.904 43.807 2.39772 15.5 3.5 3.5 5.7 61 4 1 12 22.082 44.164 2.37929 21.1 4.8 4.7 5.7 62 3 3 0 22.126 44.252 2.37483 41.5 9.4 9.3 5.7 63 4 2 2 22.623 45.247 2.32525 73.4 16.6 16.4 5.7 64 3 3 6 22.755 45.51 2.31252 9.0 2.0 2.0 5.7 65 4 2 4 22.831 45.662 2.30522 7.1 1.6 1.6 5.7 66 3 1 20 23.137 46.274 2.27638 5.2 1.2 1.2 5.7 67 3 2 16 23.179 46.358 2.27248 20.7 4.7 4.6 5.7 68 5 1 2 23.869 47.737 2.21049 5.9 1.3 1.3 5.7 69 5 1 4 24.068 48.136 2.19326 27.0 6.1 6.0 5.7 70 5 0 13 24.176 48.352 2.18405 5.2 1.2 1.2 5.7 71 4 2 10 24.246 48.492 2.17814 45.3 10.3 10.1 5.7 72 4 0 20 24.362 48.724 2.16839 83.3 18.8 18.6 5.7 73 3 1 22 24.538 49.076 2.15377 34.2 7.7 7.6 5.7 74 5 0 14 24.619 49.237 2.14717 13.1 3.0 2.9 5.7 75 1 0 28 24.653 49.307 2.14434 30.1 6.8 6.7 5.7 76 5 1 8 24.853 49.707 2.12816 17.2 3.9 3.8 5.7 77 4 1 18 25.109 50.218 2.10786 13.7 3.1 3.1 5.8 78 5 1 10 25.43 50.861 2.08297 10.5 2.4 2.3 5.8 79 3 2 20 25.543 51.085 2.07443 32.6 7.4 7.3 5.8 80 5 0 16 25.582 51.163 2.07148 9.5 2.2 2.1 5.8 81 2 2 24 25.624 51.247 2.06831 8.2 1.8 1.8 5.8 82 4 2 14 25.791 51.581 2.05583 20.0 4.5 4.4 5.8 83 4 3 2 26.224 52.448 2.02421 17.6 4.0 3.9 5.8 84 6 0 6 26.342 52.684 2.01579 20.9 4.7 4.6 5.8 85 4 2 16 26.723 53.446 1.98911 54.4 12.3 12.1 5.8 86 4 3 8 27.146 54.292 1.96042 11.4 2.6 2.5 5.8 87 1 1 30 27.237 54.475 1.95434 8.6 1.9 1.9 5.8 88 3 3 18 27.387 54.773 1.94451 17.5 3.9 3.9 5.8 89 3 1 26 27.541 55.082 1.93446 9.7 2.2 2.1 5.8 90 6 0 12 27.982 55.963 1.9064 41.8 9.5 9.2 5.8 91 1 0 32 28.361 56.722 1.88297 10.7 2.4 2.4 5.8 92 6 1 2 28.439 56.877 1.87826 24.8 5.6 5.5 5.8 93 6 1 4 28.615 57.23 1.86765 16.7 3.8 3.7 5.8 94 4 2 20 28.876 57.752 1.85222 8.7 2.0 1.9 5.8 95 4 1 24 28.95 57.901 1.84786 25.6 5.8 5.6 5.8 96 5 2 12 29.058 58.116 1.84161 25.6 5.8 5.6 5.8 97 4 3 14 29.104 58.208 1.83894 9.9 2.2 2.2 5.8 98 6 1 8 29.314 58.627 1.82696 9.0 2.0 2.0 5.8 99 3 0 30 29.4 58.801 1.82204 4.7 1.1 1.0 5.8 100 3 2 26 29.69 59.379 1.8059 9.0 2.0 2.0 5.8 101 5 1 20 29.932 59.863 1.79263 16.2 3.7 3.6 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) |