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 *** *********************** WOLFRAMITE 4, Cu-analogue CuWO(4) Triclinic P 1(-) Z = 2 R =0.029 NR =998 25 .5 .1993 Ref.Str.: Kihlborg L.,Gebert E., (1970) * Acta Cryst., B26, 1020-1026 Reserv: T.V.Ush. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.7026 alpha = 91.68 b = 5.8389 beta = 92.47 c = 4.8784 gamma = 82.81 Unit cell volume (cub. angs.) = 132.73 Molar volume ( cub.cm/mol.) = 39.98 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.4953 0.6598 0.2448 0.0 Cu = 1.00 2 0.0211 0.1735 0.2543 0.0 W = 1.00 3 0.2491 0.3535 0.4245 0.0 O = 1.00 4 0.2145 0.8812 0.4309 0.0 O = 1.00 5 0.7353 0.3803 0.0981 0.0 O = 1.00 6 0.7826 0.9079 0.0533 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.4953 0.6598 0.2448 2 2 0.0211 0.1735 0.2543 3 3 0.2491 0.3535 0.4245 4 4 0.2145 0.8812 0.4309 5 5 0.7353 0.3803 0.0981 6 6 0.7826 0.9079 0.0533 7 1 0.5047 0.3402 0.7552 8 2 0.9789 0.8265 0.7457 9 3 0.7509 0.6465 0.5755 10 4 0.7855 0.1188 0.5691 11 5 0.2647 0.6197 0.9019 12 6 0.2174 0.0921 0.9467 X-ray density (g/cm cub.) = 7.79 MU (1/cm) = 893.434 Mass attenuation coefficient (cm**2/g) = 114.71 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 2.808 6 2.4505 3 1.9613 4 1.9971 5 2.3399 6 1.9672 3 1.9783 5 2 W 2.448 6 1.7604 3 2.0278 4 1.845 5 2.208 6 1.9878 4 1.8159 6 3 O 3.264 12 3.0644 4 2.7839 4 2.8645 5 2.826 5 3.1346 3 2.8336 3 2.7885 4 2.8401 4 2.7654 5 3.0328 5 3.0264 6 2.7575 6 4 O 3.264 11 2.7839 3 3.0644 3 2.6754 6 2.7885 3 2.8401 3 3.2112 4 2.4105 4 2.7812 5 2.9629 5 2.7691 6 2.6969 6 5 O 3.264 12 2.826 3 2.8645 3 3.1309 6 2.7424 6 2.7654 3 3.0328 3 2.7812 4 2.9629 4 3.1974 5 2.6246 5 2.7628 6 3.1793 6 6 O 3.264 11 2.6754 4 2.7424 5 3.1309 5 3.0264 3 2.7575 3 2.7691 4 2.6969 4 2.7628 5 3.1793 5 2.5066 6 2.773 6 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 1 0 7.643 15.287 0.086 110.1 2 35.6 1580.2 2 0 0 1 9.096 18.192 0.103 77.1 2 2.3 4.6 3 1 0 0 9.511 19.021 0.107 70.33 2 79.5 5040.9 4 1 1 0 11.469 22.938 0.129 47.7 2 75.8 3109.6 5 0 -1 1 11.779 23.558 0.133 45.11 2 69.5 2472.2 6 0 1 1 12.066 24.132 0.136 42.89 2 72.1 2532.9 7 -1 0 1 12.949 25.899 0.145 36.97 2 11.0 50.7 8 -1 1 0 12.98 25.96 0.146 36.79 2 99.8 4162.2 9 1 0 1 13.484 26.968 0.151 33.94 2 22.8 200.9 10 -1 -1 1 14.351 28.703 0.161 29.73 2 154.8 8084.2 11 1 1 1 15.072 30.144 0.169 26.77 2 148.1 6661.1 12 0 2 0 15.427 30.855 0.173 25.46 2 83.7 2027.4 13 -1 1 1 15.826 31.653 0.177 24.1 2 134.3 4935.6 14 1 -1 1 16.057 32.114 0.18 23.36 2 129.9 4472.7 15 1 2 0 17.17 34.341 0.192 20.2 2 56.9 741.5 16 0 -2 1 17.828 35.655 0.199 18.61 2 123.2 3206.3 17 0 2 1 18.222 36.444 0.203 17.73 2 107.0 2304.7 18 0 0 2 18.432 36.864 0.205 17.29 2 132.2 3429.7 19 -1 -2 1 19.19 38.379 0.213 15.82 2 1.9 0.7 20 -1 2 0 19.276 38.552 0.214 15.67 2 29.7 157.3 21 2 0 0 19.297 38.593 0.215 15.63 2 111.7 2211.7 22 0 -1 2 19.88 39.76 0.221 14.63 2 26.5 116.5 23 2 1 0 19.911 39.822 0.221 14.58 2 4.9 4.0 24 1 2 1 19.935 39.869 0.221 14.54 2 68.2 767.6 25 0 1 2 20.24 40.48 0.225 14.06 2 14.6 34.2 26 -1 0 2 20.541 41.082 0.228 13.6 2 92.8 1330.4 27 -2 0 1 21.138 42.276 0.234 12.76 2 26.3 100.5 28 1 0 2 21.255 42.51 0.235 12.6 2 26.9 103.4 29 -1 -1 2 21.416 42.832 0.237 12.39 2 63.6 568.8 30 -1 2 1 21.466 42.932 0.238 12.32 2 20.2 56.9 31 1 -2 1 21.475 42.949 0.238 12.31 2 94.0 1234.0 32 -2 -1 1 21.624 43.249 0.239 12.12 2 56.7 443.0 33 -2 1 0 21.791 43.582 0.241 11.92 2 50.4 344.2 34 2 0 1 21.836 43.672 0.241 11.86 2 27.9 105.1 35 1 1 2 22.438 44.876 0.248 11.16 2 58.9 439.2 36 2 1 1 22.475 44.95 0.248 11.11 2 71.7 648.1 37 -1 1 2 22.649 45.298 0.25 10.92 2 75.2 701.6 38 1 -1 2 22.99 45.98 0.254 10.56 2 82.0 805.7 39 2 2 0 23.432 46.865 0.258 10.11 2 96.4 1066.6 40 0 3 0 23.517 47.034 0.259 10.03 2 53.0 319.6 41 -2 1 1 23.552 47.103 0.259 10.0 2 34.0 131.2 42 2 -1 1 24.039 48.078 0.264 9.54 2 37.7 153.8 43 0 -2 2 24.096 48.192 0.265 9.49 2 78.2 659.2 44 1 3 0 24.361 48.723 0.268 9.26 2 143.2 2153.9 45 0 2 2 24.713 49.426 0.271 8.96 2 80.9 666.3 46 -2 -2 1 24.876 49.752 0.273 8.83 2 111.8 1253.6 47 -1 -2 2 25.023 50.046 0.275 8.71 2 47.5 223.1 48 0 -3 1 25.191 50.383 0.276 8.58 2 14.0 19.2 49 0 3 1 25.641 51.281 0.281 8.24 2 23.9 53.3 50 2 2 1 25.791 51.583 0.282 8.13 2 127.8 1507.2 51 -1 -3 1 25.844 51.688 0.283 8.09 2 26.2 63.1 52 1 2 2 26.229 52.457 0.287 7.83 2 59.8 317.9 53 1 3 1 26.583 53.167 0.29 7.59 2 18.0 27.8 54 -2 0 2 26.627 53.254 0.291 7.56 2 162.8 2276.3 55 -2 2 0 26.693 53.387 0.292 7.52 2 58.2 289.2 56 -1 3 0 26.772 53.543 0.292 7.47 2 145.8 1802.6 57 -2 -1 2 26.965 53.931 0.294 7.35 2 14.2 16.8 58 -1 2 2 27.193 54.387 0.297 7.21 2 30.9 78.0 59 1 -2 2 27.208 54.416 0.297 7.2 2 21.3 37.1 60 2 0 2 27.797 55.594 0.303 6.86 2 150.0 1751.5 61 -2 2 1 28.293 56.586 0.308 6.59 2 142.1 1509.9 62 0 0 3 28.312 56.623 0.308 6.58 2 2.7 0.5 63 2 1 2 28.404 56.808 0.309 6.53 2 12.5 11.6 64 1 -3 1 28.448 56.896 0.309 6.51 2 11.1 9.1 65 -1 3 1 28.579 57.159 0.311 6.44 2 2.6 0.5 66 2 -2 1 28.584 57.168 0.311 6.44 2 142.3 1479.4 67 -2 1 2 28.76 57.52 0.312 6.35 2 46.5 155.8 68 2 3 0 29.043 58.086 0.315 6.21 2 57.6 234.0 69 0 -1 3 29.306 58.612 0.318 6.08 2 38.6 102.9 70 2 -1 2 29.605 59.21 0.321 5.95 2 51.5 179.2 71 0 1 3 29.712 59.424 0.322 5.9 2 58.3 227.7 72 3 0 0 29.715 59.43 0.322 5.9 2 41.0 112.3 73 -2 -2 2 29.718 59.436 0.322 5.9 2 85.7 492.2 74 -1 0 3 29.735 59.469 0.322 5.89 2 0.5 0.0 75 3 1 0 29.803 59.606 0.323 5.86 2 24.6 40.1 76 0 -3 2 30.205 60.411 0.327 5.69 2 59.8 231.2 77 -2 -3 1 30.23 60.46 0.327 5.68 2 47.2 143.3 78 -1 -1 3 30.343 60.685 0.328 5.63 2 127.6 1040.6 79 1 0 3 30.556 61.113 0.33 5.54 2 24.7 38.5 80 -1 -3 2 30.65 61.3 0.331 5.5 2 124.1 962.4 81 -3 0 1 30.948 61.897 0.334 5.39 2 38.7 91.4 82 -3 -1 1 30.968 61.937 0.334 5.38 2 124.3 943.9 83 0 3 2 31.0 62.0 0.334 5.37 2 52.3 166.8 84 2 3 1 31.168 62.337 0.336 5.3 2 41.4 103.0 85 2 2 2 31.336 62.673 0.338 5.24 2 87.6 457.0 86 -1 1 3 31.447 62.895 0.339 5.2 2 120.2 852.4 87 1 1 3 31.547 63.093 0.34 5.16 2 119.0 829.9 88 3 0 1 31.752 63.503 0.342 5.09 2 41.7 100.7 89 1 -1 3 31.857 63.713 0.343 5.06 2 106.6 651.9 90 3 1 1 31.901 63.802 0.343 5.04 2 129.7 962.6 91 -3 1 0 31.933 63.867 0.343 5.03 2 81.6 380.5 92 1 3 2 31.97 63.94 0.344 5.02 2 131.0 977.5 93 0 4 0 32.143 64.286 0.345 4.96 2 82.8 385.6 94 3 2 0 32.185 64.371 0.346 4.94 2 67.3 254.5 95 1 4 0 32.49 64.98 0.349 4.84 2 4.7 1.2 96 0 -2 3 32.558 65.117 0.349 4.82 2 138.2 1045.9 97 -2 2 2 33.055 66.11 0.354 4.67 2 49.6 130.3 98 -3 1 1 33.182 66.365 0.355 4.63 2 97.4 499.1 99 -1 -2 3 33.197 66.394 0.355 4.63 2 48.5 123.7 100 -3 -2 1 33.24 66.48 0.356 4.61 2 38.9 79.2 101 1 -3 2 33.269 66.539 0.356 4.6 2 136.3 971.0 102 -2 3 0 33.284 66.567 0.356 4.6 2 56.6 167.4 103 0 2 3 33.321 66.643 0.357 4.59 2 134.3 939.5 104 0 -4 1 33.46 66.921 0.358 4.55 2 115.3 686.0 105 -1 3 2 33.509 67.019 0.358 4.53 2 125.3 808.8 106 2 -2 2 33.586 67.172 0.359 4.51 2 45.7 106.8 107 -1 -4 1 33.672 67.343 0.36 4.49 2 61.5 192.7 108 3 -1 1 33.832 67.663 0.361 4.44 2 95.7 461.8 109 0 4 1 33.963 67.926 0.363 4.41 2 117.5 690.5 110 3 2 1 34.264 68.528 0.365 4.33 2 6.1 1.8 111 1 4 1 34.428 68.857 0.367 4.29 2 59.3 170.9 112 -2 -3 2 34.528 69.055 0.368 4.26 2 44.2 94.4 113 -2 0 3 34.553 69.105 0.368 4.25 2 15.1 11.0 114 1 2 3 34.719 69.437 0.37 4.21 2 27.0 34.9 115 -2 3 1 34.759 69.518 0.37 4.2 2 0.9 0.0 116 -2 -1 3 34.782 69.563 0.37 4.2 2 61.2 178.7 117 2 -3 1 34.895 69.79 0.371 4.17 2 18.1 15.5 118 -1 4 0 35.195 70.389 0.374 4.1 2 12.0 6.7 119 -3 -1 2 35.214 70.429 0.374 4.09 2 38.1 67.4 120 -3 0 2 35.257 70.515 0.375 4.08 2 32.9 50.2 121 -1 2 3 35.29 70.58 0.375 4.08 2 42.9 85.0 122 1 -2 3 35.309 70.617 0.375 4.07 2 44.3 90.7 123 2 0 3 36.066 72.132 0.382 3.91 2 23.5 24.5 124 2 4 0 36.187 72.375 0.383 3.88 2 13.3 7.8 125 -3 2 0 36.224 72.448 0.384 3.87 2 1.3 0.1 126 2 3 2 36.273 72.546 0.384 3.86 2 41.2 74.4 127 -2 1 3 36.47 72.94 0.386 3.82 2 38.4 63.9 128 1 -4 1 36.583 73.166 0.387 3.8 2 43.2 80.3 129 3 3 0 36.62 73.239 0.387 3.79 2 109.6 517.3 130 2 1 3 36.655 73.31 0.388 3.79 2 58.3 146.0 131 3 0 2 36.758 73.517 0.388 3.77 2 65.1 180.9 132 -1 4 1 36.819 73.639 0.389 3.75 2 54.5 126.6 133 3 1 2 36.958 73.916 0.39 3.73 2 28.7 34.8 134 -2 -2 3 37.14 74.28 0.392 3.69 2 76.6 246.0 135 -2 -4 1 37.191 74.382 0.392 3.68 2 118.1 583.7 136 -3 -2 2 37.298 74.596 0.393 3.67 2 52.0 112.3 137 -3 1 2 37.424 74.847 0.394 3.64 2 91.3 344.7 138 -3 2 1 37.465 74.93 0.395 3.64 2 72.4 216.2 139 -3 -3 1 37.556 75.112 0.396 3.62 2 29.4 35.4 140 2 -1 3 37.593 75.186 0.396 3.61 2 29.3 35.3 141 0 -4 2 37.757 75.513 0.397 3.58 2 38.2 59.4 142 0 -3 3 37.763 75.526 0.398 3.58 2 0.9 0.0 143 -1 -4 2 37.835 75.67 0.398 3.57 2 11.3 5.2 144 3 -2 1 37.963 75.926 0.399 3.55 2 34.5 48.0 145 -1 -3 3 38.041 76.082 0.4 3.54 2 4.8 0.9 146 2 4 1 38.163 76.326 0.401 3.52 2 109.3 477.0 147 3 3 1 38.65 77.299 0.405 3.44 2 34.1 45.4 148 3 -1 2 38.655 77.311 0.405 3.44 2 87.3 297.3 149 0 4 2 38.712 77.423 0.406 3.43 2 43.5 73.8 150 0 3 3 38.837 77.674 0.407 3.41 2 24.5 23.3 151 -2 3 2 39.167 78.335 0.41 3.37 2 52.9 107.1 152 0 0 4 39.224 78.448 0.41 3.36 2 114.2 497.3 153 3 2 2 39.244 78.487 0.411 3.35 2 64.0 155.9 154 1 4 2 39.275 78.551 0.411 3.35 2 33.8 43.4 155 2 2 3 39.325 78.65 0.411 3.34 2 60.3 138.2 156 2 -3 2 39.428 78.856 0.412 3.33 2 42.4 68.0 157 1 3 3 39.84 79.679 0.416 3.28 2 21.0 16.5 158 0 -1 4 40.02 80.039 0.417 3.25 2 35.6 46.7 159 -1 0 4 40.331 80.662 0.42 3.21 2 29.1 30.8 160 -2 2 3 40.416 80.833 0.421 3.2 2 89.5 291.2 161 0 1 4 40.49 80.98 0.421 3.2 2 13.8 6.9 162 1 -3 3 40.683 81.365 0.423 3.17 2 3.5 0.4 163 -1 -1 4 40.805 81.611 0.424 3.16 2 46.8 78.5 164 1 -4 2 40.872 81.744 0.425 3.15 2 10.1 3.6 165 -1 3 3 41.017 82.034 0.426 3.14 2 7.3 1.9 166 -2 -4 2 41.101 82.203 0.427 3.13 2 50.5 90.7 167 4 1 0 41.131 82.262 0.427 3.12 2 26.9 25.6 168 2 -2 3 41.156 82.311 0.427 3.12 2 88.3 276.1 169 1 0 4 41.293 82.586 0.428 3.11 2 66.4 155.4 170 -2 4 0 41.318 82.636 0.429 3.1 2 48.8 84.0 171 -1 4 2 41.329 82.658 0.429 3.1 2 30.6 33.1 172 4 0 0 41.37 82.74 0.429 3.1 2 124.8 547.6 173 -3 -3 2 41.395 82.79 0.429 3.1 2 117.8 487.5 174 -2 -3 3 41.498 82.997 0.43 3.09 2 30.0 31.6 175 -3 2 2 41.599 83.197 0.431 3.08 2 8.9 2.8 176 0 5 0 41.685 83.371 0.432 3.07 2 40.2 56.3 177 1 5 0 41.686 83.372 0.432 3.07 2 68.2 161.8 178 -1 1 4 41.904 83.808 0.434 3.05 2 61.4 130.6 179 -4 -1 1 42.035 84.071 0.435 3.04 2 64.3 142.3 180 -3 -1 3 42.144 84.287 0.436 3.03 2 104.2 373.0 181 1 1 4 42.232 84.464 0.436 3.02 2 42.2 61.0 182 -3 0 3 42.243 84.485 0.436 3.02 2 27.1 25.2 183 -4 0 1 42.332 84.664 0.437 3.01 2 34.6 40.9 184 -3 3 0 42.363 84.726 0.437 3.01 2 109.1 406.2 185 1 -1 4 42.394 84.788 0.438 3.0 2 73.0 181.8 186 3 -2 2 42.567 85.134 0.439 2.99 2 9.3 2.9 187 -1 -5 1 42.714 85.428 0.44 2.98 2 95.7 309.2 188 -2 4 1 42.752 85.504 0.441 2.97 2 93.7 296.5 189 2 -4 1 42.764 85.527 0.441 2.97 2 91.1 280.3 190 0 -5 1 42.832 85.665 0.441 2.97 2 30.8 31.9 191 0 -2 4 42.851 85.703 0.441 2.97 2 55.0 101.7 192 3 4 0 42.894 85.788 0.442 2.96 2 38.1 48.8 193 4 2 0 42.931 85.862 0.442 2.96 2 86.8 253.4 194 2 4 2 42.992 85.984 0.443 2.95 2 30.7 31.5 195 4 1 1 43.107 86.214 0.444 2.95 2 52.1 90.9 196 4 0 1 43.286 86.573 0.445 2.93 2 36.4 44.2 197 -1 -2 4 43.315 86.631 0.445 2.93 2 30.8 31.5 198 0 5 1 43.414 86.828 0.446 2.92 2 31.4 32.7 199 3 3 2 43.528 87.055 0.447 2.92 2 97.8 316.6 200 1 5 1 43.534 87.068 0.447 2.92 2 79.3 208.0 201 -3 3 1 43.615 87.23 0.448 2.91 2 26.8 23.7 202 -4 1 0 43.643 87.287 0.448 2.91 2 51.7 88.1 203 -3 -4 1 43.739 87.477 0.449 2.9 2 55.8 102.6 204 -4 -2 1 43.772 87.545 0.449 2.9 2 68.6 154.8 205 0 2 4 43.781 87.563 0.449 2.9 2 64.7 137.9 206 2 3 3 43.979 87.958 0.451 2.89 2 47.9 75.1 207 3 -3 1 43.981 87.962 0.451 2.89 2 23.5 18.0 208 -3 -2 3 44.077 88.154 0.452 2.88 2 8.9 2.6 209 -3 1 3 44.372 88.745 0.454 2.86 2 76.7 191.2 210 3 0 3 44.388 88.776 0.454 2.86 2 42.6 59.1 211 -2 0 4 44.568 89.137 0.456 2.85 2 114.2 422.3 212 3 1 3 44.638 89.276 0.456 2.85 2 102.2 337.8 213 -4 1 1 44.658 89.316 0.456 2.85 2 21.3 14.6 214 -1 -4 3 44.718 89.436 0.457 2.84 2 45.2 66.0 215 -2 -1 4 44.724 89.449 0.457 2.84 2 2.6 0.2 216 0 -4 3 44.761 89.522 0.457 2.84 2 99.7 320.3 217 -1 5 0 44.82 89.64 0.458 2.84 2 56.0 101.0 218 2 5 0 44.823 89.646 0.458 2.84 2 61.8 122.8 219 3 4 1 44.917 89.834 0.458 2.83 2 55.5 99.0 220 4 2 1 44.957 89.913 0.459 2.83 2 48.0 73.9 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 0 7.643 15.287 5.79124 1580.2 19.5 19.7 5.6 2 1 0 0 9.511 19.021 4.66188 5040.9 62.4 62.8 5.6 3 1 1 0 11.469 22.938 3.87399 3109.6 38.5 38.6 5.6 4 0 -1 1 11.779 23.558 3.77342 2472.2 30.6 30.7 5.6 5 0 1 1 12.066 24.132 3.68493 2532.9 31.3 31.4 5.6 6 -1 1 0 12.98 25.96 3.42944 4162.2 51.5 51.6 5.6 7 1 0 1 13.484 26.968 3.30349 200.9 2.5 2.5 5.6 8 -1 -1 1 14.351 28.703 3.10764 8084.2 100.0 100.0 5.6 9 1 1 1 15.072 30.144 2.96227 6661.1 82.4 82.3 5.6 10 0 2 0 15.427 30.855 2.89562 2027.4 25.1 25.0 5.6 11 -1 1 1 15.826 31.653 2.82441 4935.6 61.1 60.9 5.6 12 1 -1 1 16.057 32.114 2.78487 4472.7 55.3 55.2 5.6 13 1 2 0 17.17 34.341 2.60923 741.5 9.2 9.1 5.7 14 0 -2 1 17.828 35.655 2.51598 3206.3 39.7 39.4 5.7 15 0 2 1 18.222 36.444 2.46331 2304.7 28.5 28.3 5.7 16 0 0 2 18.432 36.864 2.43623 3429.7 42.4 42.1 5.7 17 2 0 0 19.297 38.593 2.33094 2369.1 29.3 29.0 5.7 18 0 -1 2 19.88 39.76 2.2652 116.5 1.4 1.4 5.7 19 1 2 1 19.935 39.869 2.25924 771.6 9.5 9.4 5.7 20 -1 0 2 20.541 41.082 2.19529 1330.4 16.5 16.3 5.7 21 -2 0 1 21.138 42.276 2.13602 100.5 1.2 1.2 5.7 22 1 0 2 21.255 42.51 2.12479 103.4 1.3 1.3 5.7 23 -1 -1 2 21.416 42.832 2.10957 568.8 7.0 6.9 5.7 24 1 -2 1 21.475 42.949 2.10407 1290.8 16.0 15.8 5.7 25 -2 -1 1 21.624 43.249 2.0902 443.0 5.5 5.4 5.7 26 -2 1 0 21.791 43.582 2.07497 344.2 4.3 4.2 5.7 27 2 0 1 21.836 43.672 2.07092 105.1 1.3 1.3 5.7 28 1 1 2 22.438 44.876 2.01812 439.2 5.4 5.4 5.7 29 2 1 1 22.475 44.95 2.01497 648.1 8.0 7.9 5.7 30 -1 1 2 22.649 45.298 2.00029 701.6 8.7 8.5 5.7 31 1 -1 2 22.99 45.98 1.9722 805.7 10.0 9.8 5.7 32 2 2 0 23.432 46.865 1.937 1066.6 13.2 13.0 5.7 33 0 3 0 23.517 47.034 1.93041 319.6 4.0 3.9 5.7 34 -2 1 1 23.552 47.103 1.92775 131.2 1.6 1.6 5.7 35 2 -1 1 24.039 48.078 1.89092 153.8 1.9 1.9 5.7 36 0 -2 2 24.096 48.192 1.88671 659.2 8.2 8.0 5.7 37 1 3 0 24.361 48.723 1.86738 2153.9 26.6 26.1 5.7 38 0 2 2 24.713 49.426 1.84246 666.3 8.2 8.1 5.7 39 -2 -2 1 24.876 49.752 1.83113 1253.6 15.5 15.2 5.7 40 -1 -2 2 25.023 50.046 1.82106 223.1 2.8 2.7 5.7 41 2 2 1 25.791 51.583 1.77037 1507.2 18.6 18.2 5.8 42 1 2 2 26.229 52.457 1.7429 317.9 3.9 3.8 5.8 43 -2 0 2 26.627 53.254 1.71868 2276.3 28.2 27.5 5.8 44 -2 2 0 26.693 53.387 1.71472 289.2 3.6 3.5 5.8 45 -1 3 0 26.772 53.543 1.71008 1802.6 22.3 21.7 5.8 46 -1 2 2 27.193 54.387 1.68553 115.1 1.4 1.4 5.8 47 2 0 2 27.797 55.594 1.65174 1751.5 21.7 21.1 5.8 48 -2 2 1 28.293 56.586 1.62512 1510.4 18.7 18.1 5.8 49 2 -2 1 28.584 57.168 1.60995 1479.4 18.3 17.8 5.8 50 -2 1 2 28.76 57.52 1.60095 155.8 1.9 1.9 5.8 51 2 3 0 29.043 58.086 1.58667 234.0 2.9 2.8 5.8 52 0 -1 3 29.306 58.612 1.5737 102.9 1.3 1.2 5.8 53 2 -1 2 29.605 59.21 1.55921 179.2 2.2 2.1 5.8 54 -2 -2 2 29.718 59.436 1.55382 832.1 10.3 10.0 5.8 55 0 -3 2 30.205 60.411 1.53106 374.4 4.6 4.5 5.8 56 -1 -1 3 30.343 60.685 1.5248 1040.6 12.9 12.4 5.8 57 -1 -3 2 30.65 61.3 1.51097 962.4 11.9 11.5 5.8 58 -3 -1 1 30.968 61.937 1.49695 1035.3 12.8 12.3 5.8 59 0 3 2 31.0 62.0 1.49558 166.8 2.1 2.0 5.8 60 2 3 1 31.168 62.337 1.48831 103.0 1.3 1.2 5.8 61 2 2 2 31.336 62.673 1.48114 457.0 5.7 5.4 5.8 62 -1 1 3 31.447 62.895 1.47644 852.4 10.5 10.1 5.9 63 1 1 3 31.547 63.093 1.47227 829.9 10.3 9.9 5.9 64 3 0 1 31.752 63.503 1.46375 100.7 1.2 1.2 5.9 65 1 -1 3 31.857 63.713 1.45943 651.9 8.1 7.7 5.9 66 3 1 1 31.901 63.802 1.45762 962.6 11.9 11.4 5.9 67 -3 1 0 31.933 63.867 1.45629 380.5 4.7 4.5 5.9 68 1 3 2 31.97 63.94 1.45479 977.5 12.1 11.6 5.9 69 0 4 0 32.143 64.286 1.44781 385.6 4.8 4.6 5.9 70 3 2 0 32.185 64.371 1.4461 254.5 3.1 3.0 5.9 71 0 -2 3 32.558 65.117 1.43132 1045.9 12.9 12.4 5.9 72 -2 2 2 33.055 66.11 1.41221 130.3 1.6 1.5 5.9 73 -3 1 1 33.182 66.365 1.4074 622.8 7.7 7.4 5.9 74 1 -3 2 33.269 66.539 1.40414 1217.6 15.1 14.4 5.9 75 0 2 3 33.321 66.643 1.40221 939.5 11.6 11.1 5.9 76 0 -4 1 33.46 66.921 1.39705 686.0 8.5 8.1 5.9 77 -1 3 2 33.509 67.019 1.39525 808.8 10.0 9.6 5.9 78 2 -2 2 33.586 67.172 1.39244 106.8 1.3 1.3 5.9 79 -1 -4 1 33.672 67.343 1.38931 192.7 2.4 2.3 5.9 80 3 -1 1 33.832 67.663 1.38352 461.8 5.7 5.5 5.9 81 0 4 1 33.963 67.926 1.3788 690.5 8.5 8.1 5.9 82 1 4 1 34.428 68.857 1.36242 170.9 2.1 2.0 5.9 83 -2 -3 2 34.528 69.055 1.35899 105.4 1.3 1.2 5.9 84 -2 -1 3 34.782 69.563 1.3503 178.7 2.2 2.1 5.9 85 1 -2 3 35.309 70.617 1.33271 175.7 2.2 2.1 5.9 86 3 3 0 36.62 73.239 1.29133 517.3 6.4 6.0 6.0 87 2 1 3 36.655 73.31 1.29026 146.0 1.8 1.7 6.0 88 3 0 2 36.758 73.517 1.28714 180.9 2.2 2.1 6.0 89 -1 4 1 36.819 73.639 1.28531 126.6 1.6 1.5 6.0 90 -2 -2 3 37.14 74.28 1.27579 246.0 3.0 2.9 6.0 91 -2 -4 1 37.191 74.382 1.27429 583.7 7.2 6.8 6.0 92 -3 -2 2 37.298 74.596 1.27117 112.3 1.4 1.3 6.0 93 -3 1 2 37.424 74.847 1.26752 344.7 4.3 4.0 6.0 94 -3 2 1 37.465 74.93 1.26633 216.2 2.7 2.5 6.0 95 2 4 1 38.163 76.326 1.24661 477.0 5.9 5.5 6.0 96 3 -1 2 38.655 77.311 1.23317 342.7 4.2 4.0 6.0 97 -2 3 2 39.167 78.335 1.21959 107.1 1.3 1.2 6.0 98 0 0 4 39.224 78.448 1.21811 653.2 8.1 7.6 6.0 99 2 2 3 39.325 78.65 1.21549 138.2 1.7 1.6 6.0 100 -2 2 3 40.416 80.833 1.18808 291.2 3.6 3.3 6.1 101 -2 -4 2 41.101 82.203 1.17172 116.3 1.4 1.3 6.1 102 2 -2 3 41.156 82.311 1.17045 276.1 3.4 3.2 6.1 103 1 0 4 41.293 82.586 1.16725 239.4 3.0 2.7 6.1 104 4 0 0 41.37 82.74 1.16547 1035.1 12.8 11.8 6.1 105 1 5 0 41.686 83.372 1.15823 218.1 2.7 2.5 6.1 106 -1 1 4 41.904 83.808 1.15332 130.6 1.6 1.5 6.1 107 -4 -1 1 42.035 84.071 1.15038 142.3 1.8 1.6 6.1 108 -3 -1 3 42.144 84.287 1.14797 373.0 4.6 4.3 6.1 109 1 1 4 42.232 84.464 1.14602 86.2 1.1 1.0 6.1 110 -3 3 0 42.363 84.726 1.14315 406.2 5.0 4.6 6.1 111 1 -1 4 42.394 84.788 1.14247 181.8 2.2 2.1 6.1 112 -1 -5 1 42.714 85.428 1.13554 309.2 3.8 3.5 6.1 113 -2 4 1 42.752 85.504 1.13472 576.7 7.1 6.6 6.1 114 0 -2 4 42.851 85.703 1.1326 133.7 1.7 1.5 6.1 115 4 2 0 42.931 85.862 1.13091 253.4 3.1 2.9 6.1 116 4 1 1 43.107 86.214 1.12719 90.9 1.1 1.0 6.1 117 3 3 2 43.528 87.055 1.11845 524.6 6.5 5.9 6.1 118 -4 1 0 43.643 87.287 1.11608 111.8 1.4 1.3 6.2 119 -3 -4 1 43.739 87.477 1.11414 102.6 1.3 1.2 6.2 120 -4 -2 1 43.772 87.545 1.11345 292.7 3.6 3.3 6.2 121 2 3 3 43.979 87.958 1.10929 93.1 1.2 1.1 6.2 122 -3 1 3 44.372 88.745 1.10147 250.3 3.1 2.8 6.2 123 -2 0 4 44.568 89.137 1.09764 422.3 5.2 4.8 6.2 124 3 1 3 44.638 89.276 1.09629 352.3 4.4 4.0 6.2 125 0 -4 3 44.761 89.522 1.09391 320.3 4.0 3.6 6.2 126 2 5 0 44.823 89.646 1.09272 223.8 2.8 2.5 6.2 127 3 4 1 44.917 89.834 1.09092 99.0 1.2 1.1 6.2 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) |