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 *** *********************** CERITE_CE 1, DF (Ce,La,Nd,Ca)(9)(Fe''',Mg,Al)[SiO(4)](6)[SiO(3)OH](OH)(3) Hexagonal R 3c Z = 6 R =0.032 NR =1711 21 .9 .1990 Ref.Str.: Moore P.B. (1983) * Amer. Mineral., 68, 996-1003 Reserv: See U(ij) in the original Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.779 alpha = 90.0 b = 10.779 beta = 90.0 c = 38.06 gamma = 120.0 Unit cell volume (cub. angs.) = 3829.63 Molar volume ( cub.cm/mol.) = 384.45 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2552 0.1318 0.0683 0.0 Ce = 0.94, La = 0.06 2 0.1435 0.2621 0.4329 0.0 Ce = 0.89, La = 0.11 3 0.2592 0.1357 0.1762 0.0 Ce = 0.88, La = 0.12 4 0.3164 0.1471 0.3641 0.0 Si = 1.00 5 0.2653 0.0907 0.3232 0.0 O = 1.00 6 0.2764 0.0034 0.3871 0.0 O = 1.00 7 0.2578 0.2478 0.3796 0.0 O = 1.00 8 0.0857 0.1785 0.0334 0.0 O = 1.00 9 0.1499 0.3255 0.1376 0.0 Si = 1.00 10 0.2415 0.2645 0.1177 0.0 O = 1.00 11 0.986 0.264 0.1236 0.0 O = 1.00 12 0.1682 0.0743 0.4655 0.0 O = 1.00 13 0.1396 0.2824 0.1788 0.0 O = 1.00 14 0.0 0.0 0.0 0.0 Mg = 1.00 15 0.0 0.0 0.2524 0.0 Si = 0.86, Si = 0.0 16 0.1602 0.0392 0.2398 0.0 O = 1.00 17 0.0 0.0 0.2967 0.0 OH = 0.87, OH = 0.0 18 0.0 0.0 0.0638 0.0 OH = 0.04, OH = 0.0 19 0.0 0.0 0.09 0.0 OH = 1.00 20 0.0 0.0 0.1633 0.0 OH = 0.94, OH = 0.0 21 0.0 0.0 0.3444 0.0 Ca = 0.17, Ca = 0.0 22 0.0 0.0 0.409 0.0 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2552 0.1318 0.0683 2 2 0.1435 0.2621 0.4329 3 3 0.2592 0.1357 0.1762 4 4 0.3164 0.1471 0.3641 5 5 0.2653 0.0907 0.3232 6 6 0.2764 0.0034 0.3871 7 7 0.2578 0.2478 0.3796 8 8 0.0857 0.1785 0.0334 9 9 0.1499 0.3255 0.1376 10 10 0.2415 0.2645 0.1177 11 11 0.986 0.264 0.1236 12 12 0.1682 0.0743 0.4655 13 13 0.1396 0.2824 0.1788 14 14 0.0 0.0 0.0 15 15 0.0 0.0 0.2524 16 16 0.1602 0.0392 0.2398 17 17 0.0 0.0 0.2967 18 18 0.0 0.0 0.0638 19 19 0.0 0.0 0.09 20 20 0.0 0.0 0.1633 21 21 0.0 0.0 0.3444 22 22 0.0 0.0 0.409 23 1 0.8682 0.1234 0.0683 24 1 0.8766 0.7448 0.0683 25 2 0.7379 0.8814 0.4329 26 2 0.1186 0.8565 0.4329 27 3 0.8643 0.1235 0.1762 28 3 0.8765 0.7408 0.1762 29 4 0.8529 0.1693 0.3641 30 4 0.8307 0.6836 0.3641 31 5 0.9093 0.1746 0.3232 32 5 0.8254 0.7347 0.3232 33 6 0.9966 0.273 0.3871 34 6 0.727 0.7236 0.3871 35 7 0.7522 0.01 0.3796 36 7 0.99 0.7422 0.3796 37 8 0.8215 0.9072 0.0334 38 8 0.0928 0.9143 0.0334 39 9 0.6745 0.8244 0.1376 40 9 0.1756 0.8501 0.1376 41 10 0.7355 0.977 0.1177 42 10 0.023 0.7585 0.1177 43 11 0.736 0.722 0.1236 44 11 0.278 0.014 0.1236 45 12 0.9257 0.0939 0.4655 46 12 0.9061 0.8318 0.4655 47 13 0.7176 0.8572 0.1788 48 13 0.1428 0.8604 0.1788 49 16 0.9608 0.121 0.2398 50 16 0.879 0.8398 0.2398 51 1 0.5349 0.4567 0.4016 52 1 0.2099 0.4115 0.735 53 2 0.4046 0.2147 0.7662 54 2 0.4519 0.5232 0.0996 55 3 0.531 0.4568 0.5095 56 3 0.2098 0.4075 0.8429 57 4 0.5196 0.5026 0.6974 58 4 0.164 0.3503 0.0308 59 5 0.576 0.5079 0.6565 60 5 0.1587 0.4014 0.9899 61 6 0.6633 0.6063 0.7204 62 6 0.0603 0.3903 0.0538 63 7 0.4189 0.3433 0.7129 64 7 0.3233 0.4089 0.0463 65 8 0.4882 0.2405 0.3667 66 8 0.4261 0.581 0.7001 67 9 0.3412 0.1577 0.4709 68 9 0.5089 0.5168 0.8043 69 10 0.4022 0.3103 0.451 70 10 0.3563 0.4252 0.7844 71 11 0.4027 0.0553 0.4569 72 11 0.6113 0.6807 0.7903 73 12 0.5924 0.4272 0.7988 74 12 0.2394 0.4985 0.1322 75 13 0.3843 0.1905 0.5121 76 13 0.4761 0.5271 0.8455 77 14 0.6667 0.3333 0.3333 78 14 0.3333 0.6667 0.6667 79 15 0.6667 0.3333 0.5857 80 15 0.3333 0.6667 0.9191 81 16 0.6275 0.4543 0.5731 82 16 0.2123 0.5065 0.9065 83 17 0.6667 0.3333 0.63 84 17 0.3333 0.6667 0.9634 85 18 0.6667 0.3333 0.3971 86 18 0.3333 0.6667 0.7305 87 19 0.6667 0.3333 0.4233 88 19 0.3333 0.6667 0.7567 89 20 0.6667 0.3333 0.4966 90 20 0.3333 0.6667 0.83 91 21 0.6667 0.3333 0.6777 92 21 0.3333 0.6667 0.0111 93 22 0.6667 0.3333 0.7423 94 22 0.3333 0.6667 0.0757 95 1 0.5433 0.0781 0.4016 96 1 0.5885 0.7985 0.735 97 1 0.9219 0.4651 0.4016 98 1 0.2015 0.7901 0.735 99 2 0.7853 0.1898 0.7662 100 2 0.4768 0.9288 0.0996 101 2 0.8102 0.5954 0.7662 102 2 0.0712 0.548 0.0996 103 3 0.5432 0.0741 0.5095 104 3 0.5925 0.8024 0.8429 105 3 0.9259 0.469 0.5095 106 3 0.1976 0.7902 0.8429 107 4 0.4974 0.0169 0.6974 108 4 0.6497 0.8138 0.0308 109 4 0.9831 0.4804 0.6974 110 4 0.1862 0.8359 0.0308 111 5 0.4921 0.068 0.6565 112 5 0.5986 0.7574 0.9899 113 5 0.932 0.424 0.6565 114 5 0.2426 0.8413 0.9899 115 6 0.3937 0.0569 0.7204 116 6 0.6097 0.6701 0.0538 117 6 0.9431 0.3367 0.7204 118 6 0.3299 0.9396 0.0538 119 7 0.6567 0.0755 0.7129 120 7 0.5911 0.9145 0.0463 121 7 0.9245 0.5811 0.7129 122 7 0.0855 0.6767 0.0463 123 8 0.7595 0.2476 0.3667 124 8 0.419 0.8452 0.7001 125 8 0.7524 0.5118 0.3667 126 8 0.1548 0.5738 0.7001 127 9 0.8423 0.1834 0.4709 128 9 0.4832 0.9922 0.8043 129 9 0.8166 0.6588 0.4709 130 9 0.0078 0.491 0.8043 131 10 0.6897 0.0918 0.451 132 10 0.5748 0.9312 0.7844 133 10 0.9082 0.5978 0.451 134 10 0.0688 0.6436 0.7844 135 11 0.9447 0.3473 0.4569 136 11 0.3193 0.9307 0.7903 137 11 0.6527 0.5973 0.4569 138 11 0.0693 0.3886 0.7903 139 12 0.5728 0.1651 0.7988 140 12 0.5015 0.741 0.1322 141 12 0.8349 0.4076 0.7988 142 12 0.259 0.7606 0.1322 143 13 0.8095 0.1937 0.5121 144 13 0.4729 0.9491 0.8455 145 13 0.8063 0.6157 0.5121 146 13 0.0509 0.5238 0.8455 147 16 0.5457 0.1731 0.5731 148 16 0.4935 0.7059 0.9065 149 16 0.8269 0.3725 0.5731 150 16 0.2941 0.7876 0.9065 151 1 0.2552 0.1234 0.5683 152 2 0.1435 0.8814 0.9329 153 3 0.2592 0.1235 0.6762 154 4 0.3164 0.1693 0.8641 155 5 0.2653 0.1746 0.8232 156 6 0.2764 0.273 0.8871 157 7 0.2578 0.01 0.8796 158 8 0.0857 0.9072 0.5334 159 9 0.1499 0.8244 0.6376 160 10 0.2415 0.977 0.6177 161 11 0.986 0.722 0.6236 162 12 0.1682 0.0939 0.9655 163 13 0.1396 0.8572 0.6788 164 14 0.0 0.0 0.5 165 15 0.0 0.0 0.7524 166 16 0.1602 0.121 0.7398 167 17 0.0 0.0 0.7967 168 18 0.0 0.0 0.5638 169 19 0.0 0.0 0.59 170 20 0.0 0.0 0.6633 171 21 0.0 0.0 0.8444 172 22 0.0 0.0 0.909 173 1 0.8682 0.7448 0.5683 174 1 0.8766 0.1318 0.5683 175 2 0.7379 0.8565 0.9329 176 2 0.1186 0.2621 0.9329 177 3 0.8643 0.7408 0.6762 178 3 0.8765 0.1357 0.6762 179 4 0.8529 0.6836 0.8641 180 4 0.8307 0.1471 0.8641 181 5 0.9093 0.7347 0.8232 182 5 0.8254 0.0907 0.8232 183 6 0.9966 0.7236 0.8871 184 6 0.727 0.0034 0.8871 185 7 0.7522 0.7422 0.8796 186 7 0.99 0.2478 0.8796 187 8 0.8215 0.9143 0.5334 188 8 0.0928 0.1785 0.5334 189 9 0.6745 0.8501 0.6376 190 9 0.1756 0.3255 0.6376 191 10 0.7355 0.7585 0.6177 192 10 0.023 0.2645 0.6177 193 11 0.736 0.014 0.6236 194 11 0.278 0.264 0.6236 195 12 0.9257 0.8318 0.9655 196 12 0.9061 0.0743 0.9655 197 13 0.7176 0.8604 0.6788 198 13 0.1428 0.2824 0.6788 199 16 0.9608 0.8398 0.7398 200 16 0.879 0.0392 0.7398 201 1 0.5349 0.0781 0.9016 202 1 0.2099 0.7985 0.235 203 2 0.4046 0.1898 0.2662 204 2 0.4519 0.9288 0.5996 205 3 0.531 0.0741 0.0095 206 3 0.2098 0.8024 0.3429 207 4 0.5196 0.0169 0.1974 208 4 0.164 0.8138 0.5308 209 5 0.576 0.068 0.1565 210 5 0.1587 0.7574 0.4899 211 6 0.6633 0.0569 0.2204 212 6 0.0603 0.6701 0.5538 213 7 0.4189 0.0755 0.2129 214 7 0.3233 0.9145 0.5463 215 8 0.4882 0.2476 0.8667 216 8 0.4261 0.8452 0.2001 217 9 0.3412 0.1834 0.9709 218 9 0.5089 0.9922 0.3043 219 10 0.4022 0.0918 0.951 220 10 0.3563 0.9312 0.2844 221 11 0.4027 0.3473 0.9569 222 11 0.6113 0.9307 0.2903 223 12 0.5924 0.1651 0.2988 224 12 0.2394 0.741 0.6322 225 13 0.3843 0.1937 0.0121 226 13 0.4761 0.9491 0.3455 227 14 0.6667 0.3333 0.8333 228 14 0.3333 0.6667 0.1667 229 15 0.6667 0.3333 0.0857 230 15 0.3333 0.6667 0.4191 231 16 0.6275 0.1731 0.0731 232 16 0.2123 0.7059 0.4065 233 17 0.6667 0.3333 0.13 234 17 0.3333 0.6667 0.4634 235 18 0.6667 0.3333 0.8971 236 18 0.3333 0.6667 0.2305 237 19 0.6667 0.3333 0.9233 238 19 0.3333 0.6667 0.2567 239 20 0.6667 0.3333 0.9966 240 20 0.3333 0.6667 0.33 241 21 0.6667 0.3333 0.1777 242 21 0.3333 0.6667 0.5111 243 22 0.6667 0.3333 0.2423 244 22 0.3333 0.6667 0.5757 245 1 0.5433 0.4651 0.9016 246 1 0.5885 0.7901 0.235 247 1 0.9219 0.4567 0.9016 248 1 0.2015 0.4115 0.235 249 2 0.7853 0.5954 0.2662 250 2 0.4768 0.5481 0.5996 251 2 0.8102 0.2147 0.2662 252 2 0.0712 0.5232 0.5996 253 3 0.5432 0.469 0.0095 254 3 0.5925 0.7902 0.3429 255 3 0.9259 0.4568 0.0095 256 3 0.1976 0.4075 0.3429 257 4 0.4974 0.4804 0.1974 258 4 0.6497 0.836 0.5308 259 4 0.9831 0.5026 0.1974 260 4 0.1862 0.3503 0.5308 261 5 0.4921 0.424 0.1565 262 5 0.5986 0.8413 0.4899 263 5 0.932 0.5079 0.1565 264 5 0.2426 0.4014 0.4899 265 6 0.3937 0.3367 0.2204 266 6 0.6097 0.9397 0.5538 267 6 0.9431 0.6063 0.2204 268 6 0.3299 0.3903 0.5538 269 7 0.6567 0.5811 0.2129 270 7 0.5911 0.6767 0.5463 271 7 0.9245 0.3433 0.2129 272 7 0.0855 0.4089 0.5463 273 8 0.7595 0.5118 0.8667 274 8 0.419 0.5739 0.2001 275 8 0.7524 0.2405 0.8667 276 8 0.1548 0.581 0.2001 277 9 0.8423 0.6588 0.9709 278 9 0.4832 0.4911 0.3043 279 9 0.8166 0.1577 0.9709 280 9 0.0078 0.5168 0.3043 281 10 0.6897 0.5978 0.951 282 10 0.5748 0.6437 0.2844 283 10 0.9082 0.3103 0.951 284 10 0.0688 0.4252 0.2844 285 11 0.9447 0.5973 0.9569 286 11 0.3193 0.3887 0.2903 287 11 0.6527 0.0553 0.9569 288 11 0.0693 0.6807 0.2903 289 12 0.5728 0.4076 0.2988 290 12 0.5015 0.7606 0.6322 291 12 0.8349 0.4272 0.2988 292 12 0.259 0.4985 0.6322 293 13 0.8095 0.6157 0.0121 294 13 0.4729 0.5239 0.3455 295 13 0.8063 0.1905 0.0121 296 13 0.0509 0.5271 0.3455 297 16 0.5457 0.3725 0.0731 298 16 0.4935 0.7877 0.4065 299 16 0.8269 0.4543 0.0731 300 16 0.2941 0.5065 0.4065 X-ray density (g/cm cub.) = 5.15 MU (1/cm) = 1680.871 Mass attenuation coefficient (cm**2/g) = 326.233 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ce ,La 2.928 10 2.5051 8 2.4112 10 2.3888 18 2.5218 19 2.4942 8 2.5327 11 2.8229 7 2.6292 6 2.4541 13 2.9061 16 2 Ce ,La 2.928 9 2.418 7 2.4994 12 2.6137 22 2.397 6 2.4661 12 2.659 10 2.8711 11 2.5477 5 2.512 16 3 Ce ,La 2.928 8 2.6807 10 2.4921 13 2.6401 16 2.4698 20 2.4568 11 2.582 13 2.5402 7 2.5474 6 4 Si 2.148 4 1.6617 5 1.6382 6 1.6158 7 1.6085 8 5 O 3.312 6 2.632 6 2.7602 7 2.712 17 2.6915 8 2.7915 10 3.218 11 6 O 3.312 8 2.632 5 2.755 7 3.0762 22 2.9743 7 2.5515 8 2.9099 11 2.9581 13 3.015 16 7 O 3.312 8 2.7602 5 2.755 6 2.9472 22 2.9743 6 2.5703 8 3.0361 10 3.0033 13 2.8073 16 8 O 3.312 11 2.029 18 2.7237 19 2.8869 8 2.8869 8 2.6917 5 2.5514 6 2.5702 7 3.0186 12 3.0843 12 3.242 13 3.1836 13 9 Si 2.148 4 1.6217 10 1.635 11 1.6234 13 1.6281 12 10 O 3.312 8 2.7605 11 2.6198 13 2.9316 19 3.2396 20 2.9255 11 3.0364 7 2.5922 12 2.7913 5 11 O 3.312 8 2.7605 10 2.6203 13 3.1914 19 3.2914 20 2.9255 10 2.9102 6 2.6555 12 3.2178 5 12 O 3.312 8 2.6647 22 2.7256 12 2.7256 12 2.5923 10 2.6555 11 2.688 13 3.0186 8 3.0844 8 13 O 3.312 9 2.6198 10 2.6203 11 2.7014 20 2.9628 16 2.6883 12 2.958 6 3.0032 7 3.1834 8 3.2421 8 14 Mg 2.568 7 2.0962 8 2.4282 18 2.0962 8 2.0962 8 2.0495 12 2.0495 12 2.0495 12 15 Si ,Si 2.148 4 1.6312 16 1.6861 17 1.6311 16 1.6311 16 16 O 3.312 7 2.6684 17 3.3027 20 2.9628 13 2.7003 16 2.7003 16 2.8073 7 3.0151 6 17 OH ,OH 3.36 6 2.712 5 2.6684 16 2.7119 5 2.712 5 2.6684 16 2.6684 16 18 OH ,OH 3.36 4 2.029 8 0.9972 19 2.029 8 2.029 8 19 OH 3.36 11 2.7237 8 2.9316 10 3.1914 11 0.9972 18 2.7898 20 2.7237 8 2.7238 8 2.9316 10 2.9317 10 3.1915 11 3.1915 11 20 OH ,OH 3.36 13 3.2396 10 3.2914 11 2.7014 13 3.3027 16 2.7898 19 3.2396 10 3.2397 10 3.2914 11 3.2915 11 2.7014 13 2.7015 13 3.3027 16 3.3027 16 21 Ca ,Ca 2.928 5 2.6436 5 1.8155 17 2.4587 22 2.6435 5 2.6436 5 22 OH 3.36 9 3.0762 6 2.9472 7 2.6647 12 3.0761 6 3.0762 6 2.9472 7 2.9473 7 2.6646 12 2.6647 12 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 1 0 -2 6.127 12.253 0.06 172.62 6 303.8 651.9 2 1 0 4 7.714 15.428 0.075 108.05 6 358.4 567.7 3 0 0 6 8.106 16.212 0.079 97.64 2 566.7 427.6 4 1 1 0 9.553 19.106 0.093 69.69 6 486.5 674.7 5 1 1 3 10.388 20.777 0.101 58.6 12 111.3 59.4 6 2 0 2 11.38 22.76 0.11 48.48 6 794.5 1251.9 7 1 0 -8 12.182 24.364 0.118 42.04 6 806.6 1119.0 8 2 0 -4 12.325 24.65 0.119 41.02 6 287.0 138.2 9 1 1 6 12.579 25.157 0.122 39.3 12 67.0 14.4 10 1 0 10 14.702 29.405 0.142 28.23 6 947.0 1035.9 11 2 1 1 14.75 29.5 0.142 28.04 12 56.7 7.4 12 2 1 -2 14.942 29.883 0.144 27.27 12 1061.3 2513.7 13 2 0 8 15.573 31.146 0.15 24.95 6 543.8 301.9 14 1 1 9 15.596 31.192 0.15 24.87 12 125.5 32.1 15 2 1 4 15.687 31.374 0.151 24.56 12 824.0 1364.8 16 2 1 -5 16.226 32.451 0.156 22.84 12 126.3 29.8 17 0 0 12 16.381 32.761 0.158 22.37 2 1052.7 338.1 18 3 0 0 16.706 33.412 0.161 21.44 6 1267.8 1409.7 19 2 1 7 17.591 35.181 0.169 19.16 12 96.9 14.7 20 2 0 -10 17.652 35.305 0.17 19.01 6 2200.4 3765.9 21 2 1 -8 18.398 36.797 0.176 17.36 12 975.8 1352.7 22 3 0 -6 18.674 37.348 0.179 16.8 6 797.9 437.7 23 3 0 6 18.674 37.348 0.179 16.8 6 1168.4 938.6 24 1 1 12 19.1 38.201 0.183 15.99 12 167.7 36.8 25 2 2 0 19.386 38.772 0.186 15.47 6 1568.2 1556.4 26 2 2 3 19.836 39.672 0.19 14.7 12 194.4 45.4 27 1 0 -14 20.041 40.081 0.192 14.37 6 113.2 7.5 28 2 1 10 20.224 40.448 0.193 14.08 12 937.8 1013.4 29 3 1 -1 20.26 40.52 0.194 14.03 12 222.6 56.9 30 3 1 2 20.406 40.811 0.195 13.8 12 497.0 279.0 31 3 1 -4 20.98 41.96 0.2 12.97 12 406.8 175.7 32 2 2 6 21.139 42.279 0.202 12.76 12 63.4 4.2 33 2 1 -11 21.228 42.455 0.202 12.64 12 169.1 29.6 34 3 1 5 21.402 42.805 0.204 12.41 12 120.3 14.7 35 2 0 14 22.381 44.762 0.213 11.22 6 636.2 185.8 36 3 1 -7 22.498 44.996 0.214 11.09 12 118.3 12.7 37 4 0 -2 22.715 45.43 0.216 10.85 6 271.9 32.8 38 1 0 16 22.832 45.665 0.217 10.73 6 869.0 331.4 39 1 1 15 22.932 45.863 0.218 10.62 12 166.2 24.0 40 3 1 8 23.162 46.323 0.22 10.38 12 306.4 79.7 41 2 2 9 23.178 46.356 0.22 10.37 12 127.3 13.8 42 4 0 4 23.243 46.487 0.221 10.3 6 527.0 117.0 43 2 1 13 23.391 46.782 0.222 10.15 12 162.7 22.0 44 3 0 -12 23.747 47.494 0.225 9.81 6 492.5 97.4 45 3 0 12 23.747 47.494 0.225 9.81 6 1560.6 977.7 46 2 1 -14 24.542 49.084 0.232 9.11 12 395.6 116.6 47 3 1 -10 24.698 49.396 0.234 8.97 12 644.6 305.1 48 3 2 1 24.729 49.458 0.234 8.95 12 267.6 52.5 49 3 2 -2 24.854 49.707 0.235 8.85 12 708.5 363.4 50 2 0 -16 24.963 49.927 0.236 8.76 6 831.7 247.9 51 0 0 18 25.026 50.051 0.236 8.71 2 959.2 109.3 52 4 0 -8 25.271 50.543 0.239 8.52 6 966.7 325.6 53 3 2 4 25.348 50.696 0.239 8.46 12 746.8 386.0 54 3 1 11 25.562 51.125 0.241 8.3 12 67.0 3.1 55 3 2 -5 25.714 51.428 0.243 8.19 12 101.8 6.9 56 2 2 12 25.821 51.641 0.243 8.11 12 742.3 365.7 57 4 1 0 26.046 52.093 0.245 7.95 12 254.7 42.2 58 4 1 -3 26.406 52.811 0.249 7.71 12 261.0 42.9 59 4 1 3 26.406 52.811 0.249 7.71 12 69.9 3.1 60 3 2 7 26.673 53.346 0.251 7.53 12 162.8 16.3 61 4 0 10 26.717 53.435 0.251 7.5 6 951.7 278.1 62 2 1 16 26.968 53.937 0.254 7.35 12 553.1 183.9 63 1 1 18 27.027 54.055 0.254 7.31 12 189.2 21.4 64 3 2 -8 27.26 54.52 0.256 7.17 12 1773.3 1844.4 65 4 1 -6 27.464 54.927 0.258 7.05 12 629.4 228.5 66 4 1 6 27.464 54.927 0.258 7.05 12 684.2 269.9 67 3 1 -13 27.464 54.928 0.258 7.05 12 127.1 9.3 68 2 1 -17 28.24 56.48 0.264 6.62 12 107.4 6.2 69 3 1 14 28.495 56.99 0.267 6.48 12 151.7 12.2 70 3 2 10 28.636 57.272 0.268 6.41 12 891.4 416.8 71 1 0 -20 28.665 57.331 0.268 6.4 6 1027.2 276.1 72 5 0 2 28.777 57.553 0.269 6.34 6 1690.6 741.4 73 2 2 15 28.96 57.92 0.271 6.25 12 20.3 0.2 74 4 1 -9 29.169 58.338 0.272 6.15 12 203.9 20.9 75 4 1 9 29.169 58.338 0.272 6.15 12 413.6 86.1 76 5 0 -4 29.224 58.449 0.273 6.12 6 1201.5 361.6 77 3 2 -11 29.419 58.839 0.275 6.03 12 137.9 9.4 78 3 3 0 29.861 59.721 0.278 5.83 6 1620.5 626.8 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 1 0 2 6.127 12.253 8.38087 651.9 17.3 17.6 5.6 2 1 0 4 7.714 15.428 6.66353 567.7 15.1 15.3 5.6 3 0 0 6 8.106 16.212 6.34333 427.6 11.4 11.5 5.6 4 1 1 0 9.553 19.106 5.3895 674.7 17.9 18.1 5.6 5 1 1 3 10.388 20.777 4.96045 59.4 1.6 1.6 5.6 6 2 0 2 11.38 22.76 4.53309 1251.9 33.2 33.6 5.6 7 1 0 8 12.182 24.364 4.23875 1119.0 29.7 30.0 5.6 8 2 0 4 12.325 24.65 4.19043 138.2 3.7 3.7 5.6 9 1 0 10 14.702 29.405 3.52433 1035.9 27.5 27.6 5.6 10 2 1 2 14.942 29.883 3.46913 2513.7 66.7 67.1 5.6 11 2 0 8 15.573 31.146 3.33176 334.0 8.9 8.9 5.6 12 2 1 4 15.687 31.374 3.30814 1364.8 36.2 36.4 5.6 13 0 0 12 16.381 32.761 3.17167 338.1 9.0 9.0 5.6 14 3 0 0 16.706 33.412 3.11163 1409.7 37.4 37.5 5.7 15 2 0 10 17.652 35.305 2.94965 3765.9 100.0 100.0 5.7 16 2 1 8 18.398 36.797 2.83396 1352.7 35.9 35.9 5.7 17 3 0 6 18.674 37.348 2.79362 1376.2 36.5 36.5 5.7 18 2 2 0 19.386 38.772 2.69475 1556.4 41.3 41.2 5.7 19 2 2 3 19.836 39.672 2.63594 45.4 1.2 1.2 5.7 20 2 1 10 20.224 40.448 2.58748 1013.4 26.9 26.8 5.7 21 3 1 1 20.26 40.52 2.58306 56.9 1.5 1.5 5.7 22 3 1 2 20.406 40.811 2.5654 279.0 7.4 7.4 5.7 23 3 1 4 20.98 41.96 2.4982 175.7 4.7 4.6 5.7 24 2 0 14 22.381 44.762 2.34914 185.8 4.9 4.9 5.7 25 1 0 16 22.832 45.665 2.30509 331.4 8.8 8.7 5.7 26 3 1 8 23.162 46.323 2.2741 93.5 2.5 2.5 5.7 27 4 0 4 23.243 46.487 2.26654 117.0 3.1 3.1 5.7 28 3 0 12 23.747 47.494 2.22118 1075.1 28.5 28.2 5.7 29 2 1 14 24.542 49.084 2.15347 116.6 3.1 3.1 5.7 30 3 1 10 24.698 49.396 2.14069 305.1 8.1 8.0 5.7 31 3 2 1 24.729 49.458 2.13819 52.5 1.4 1.4 5.7 32 3 2 2 24.854 49.707 2.12814 363.4 9.6 9.5 5.7 33 2 0 16 24.963 49.927 2.11938 247.9 6.6 6.5 5.7 34 0 0 18 25.026 50.051 2.11444 109.3 2.9 2.9 5.7 35 4 0 8 25.271 50.543 2.09522 325.6 8.6 8.5 5.8 36 3 2 4 25.348 50.696 2.0893 386.0 10.2 10.1 5.8 37 2 2 12 25.821 51.641 2.05361 365.7 9.7 9.5 5.8 38 4 1 0 26.046 52.093 2.03704 42.2 1.1 1.1 5.8 39 4 1 3 26.406 52.811 2.01128 46.0 1.2 1.2 5.8 40 4 0 10 26.717 53.435 1.9895 278.1 7.4 7.2 5.8 41 2 1 16 26.968 53.937 1.97236 183.9 4.9 4.8 5.8 42 3 2 8 27.26 54.52 1.95284 1844.4 49.0 47.9 5.8 43 4 1 6 27.464 54.927 1.93949 507.7 13.5 13.2 5.8 44 3 2 10 28.636 57.272 1.86639 416.8 11.1 10.8 5.8 45 1 0 20 28.665 57.331 1.86465 276.1 7.3 7.1 5.8 46 5 0 2 28.777 57.553 1.85806 741.4 19.7 19.2 5.8 47 4 1 9 29.169 58.338 1.83522 107.0 2.8 2.8 5.8 48 5 0 4 29.224 58.449 1.83204 361.6 9.6 9.4 5.8 49 3 3 0 29.861 59.721 1.7965 626.8 16.6 16.2 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) |