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 *** *********************** REINERITE 1, f-leiteite Zn(3)[AsO(3)](2) Orthorhombic P bam Z = 4 Pbam 23 .5 .1988 Ref.Str.: Ghose S., Boving P., La Chapelle W.A., Che'nd Wan (1977) * Amer. Mineral., 62, 1129-1134 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.092 alpha = 90.0 b = 14.407 beta = 90.0 c = 7.811 gamma = 90.0 Unit cell volume (cub. angs.) = 685.55 Molar volume ( cub.cm/mol.) = 103.23 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.5 0.3145 0.0 Zn = 1.00 2 0.5649 0.7791 0.7843 0.0 Zn = 1.00 3 0.9131 0.8744 0.5 0.0 As = 1.00 4 0.2231 0.9013 0.0 0.0 As = 1.00 5 0.3304 0.0608 0.5 0.0 O = 1.00 6 0.3349 0.2807 0.0 0.0 O = 1.00 7 0.1519 0.1997 0.3262 0.0 O = 1.00 8 0.0904 0.3965 0.1736 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.5 0.3145 2 2 0.5649 0.7791 0.7843 3 3 0.9131 0.8744 0.5 4 4 0.2231 0.9013 0.0 5 5 0.3304 0.0608 0.5 6 6 0.3349 0.2807 0.0 7 7 0.1519 0.1997 0.3262 8 8 0.0904 0.3965 0.1736 9 2 0.4351 0.2209 0.7843 10 3 0.0869 0.1256 0.5 11 4 0.7769 0.0987 0.0 12 5 0.6696 0.9392 0.5 13 6 0.6651 0.7193 0.0 14 7 0.8481 0.8003 0.3262 15 8 0.9096 0.6035 0.1736 16 1 0.5 0.0 0.3145 17 2 0.9351 0.2791 0.7843 18 3 0.5869 0.3744 0.5 19 4 0.2769 0.4013 0.0 20 5 0.1696 0.5608 0.5 21 6 0.1651 0.7807 0.0 22 7 0.3481 0.6997 0.3262 23 8 0.4096 0.8965 0.1736 24 2 0.0649 0.7209 0.7843 25 3 0.4131 0.6256 0.5 26 4 0.7231 0.5987 0.0 27 5 0.8304 0.4392 0.5 28 6 0.8349 0.2193 0.0 29 7 0.6519 0.3003 0.3262 30 8 0.5904 0.1035 0.1736 31 1 0.0 0.5 0.6855 32 2 0.5649 0.7791 0.2157 33 7 0.1519 0.1997 0.6738 34 8 0.0904 0.3965 0.8264 35 2 0.4351 0.2209 0.2157 36 7 0.8481 0.8003 0.6738 37 8 0.9096 0.6035 0.8264 38 1 0.5 0.0 0.6855 39 2 0.9351 0.2791 0.2157 40 7 0.3481 0.6997 0.6738 41 8 0.4096 0.8965 0.8264 42 2 0.0649 0.7209 0.2157 43 7 0.6519 0.3003 0.6738 44 8 0.5904 0.1035 0.8264 X-ray density (g/cm cub.) = 4.28 MU (1/cm) = 246.288 Mass attenuation coefficient (cm**2/g) = 57.533 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Zn 2.628 4 1.9334 8 1.9334 8 1.9835 5 1.9835 5 2 Zn 2.628 4 1.9883 6 1.9531 7 1.9488 7 1.9657 8 3 As 2.46 3 1.7527 5 1.7718 7 1.7718 7 4 As 2.46 3 1.773 6 1.7704 8 1.7704 8 5 O 3.264 5 2.6514 7 2.7091 5 3.0639 8 2.6514 7 3.0639 8 6 O 3.264 8 3.0161 7 2.6155 8 3.1718 6 3.1718 6 3.2095 7 3.0161 7 2.6155 8 3.2095 7 7 O 3.264 6 2.6514 5 3.0161 6 3.0984 8 3.2095 6 3.2369 8 2.7151 7 8 O 3.264 6 2.6155 6 3.0984 7 3.1791 8 3.0639 5 3.2369 7 2.712 8 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 0 1 5.659 11.319 0.064 202.69 2 3.7 1.2 2 0 2 0 6.138 12.277 0.069 171.94 2 95.3 664.5 3 1 1 0 7.891 15.781 0.089 103.18 4 93.7 770.8 4 0 2 1 8.364 16.728 0.094 91.58 4 64.2 320.9 5 1 2 0 9.532 19.064 0.107 70.01 4 12.6 9.5 6 1 1 1 9.731 19.463 0.11 67.08 8 27.4 85.5 7 1 2 1 11.112 22.225 0.125 50.94 8 210.1 3827.7 8 0 0 2 11.375 22.75 0.128 48.52 2 35.9 26.7 9 1 3 0 11.785 23.57 0.133 45.06 4 99.9 382.5 10 0 4 0 12.349 24.698 0.139 40.86 2 39.8 27.5 11 0 2 2 12.965 25.93 0.146 36.88 4 145.4 663.4 12 1 3 1 13.109 26.218 0.147 36.03 8 137.7 1162.0 13 0 4 1 13.621 27.243 0.153 33.22 4 5.2 0.8 14 1 1 2 13.904 27.809 0.156 31.8 8 181.8 1789.0 15 1 4 0 14.385 28.771 0.161 29.58 4 132.9 444.6 16 2 0 0 14.648 29.296 0.164 28.46 2 155.0 290.8 17 1 2 2 14.923 29.847 0.167 27.34 8 60.5 170.4 18 2 1 0 14.979 29.959 0.168 27.13 4 47.5 52.1 19 1 4 1 15.504 31.007 0.174 25.19 8 69.0 204.0 20 2 0 1 15.749 31.499 0.176 24.36 4 138.5 397.8 21 2 2 0 15.936 31.872 0.178 23.74 4 38.7 30.3 22 2 1 1 16.06 32.12 0.18 23.35 8 135.2 726.3 23 1 3 2 16.495 32.989 0.184 22.04 8 92.0 317.5 24 0 4 2 16.913 33.827 0.189 20.87 4 339.5 2047.1 25 2 2 1 16.962 33.924 0.189 20.74 8 76.6 206.9 26 1 5 0 17.201 34.402 0.192 20.12 4 224.0 858.8 27 0 0 3 17.208 34.416 0.192 20.1 2 24.6 5.2 28 2 3 0 17.425 34.85 0.194 19.56 4 157.1 410.8 29 1 5 1 18.164 36.327 0.202 17.86 8 61.4 114.8 30 0 2 3 18.335 36.67 0.204 17.49 4 134.5 269.4 31 2 3 1 18.378 36.755 0.205 17.41 8 7.7 1.7 32 1 4 2 18.494 36.989 0.206 17.16 8 41.8 51.2 33 2 0 2 18.705 37.411 0.208 16.74 4 246.0 862.1 34 0 6 0 18.711 37.422 0.208 16.73 2 114.7 93.7 35 2 1 2 18.973 37.947 0.211 16.22 8 97.0 260.0 36 1 1 3 19.035 38.07 0.212 16.11 8 62.7 107.9 37 2 4 0 19.341 38.682 0.215 15.55 4 178.9 423.4 38 0 6 1 19.61 39.219 0.218 15.08 4 151.5 294.6 39 2 2 2 19.759 39.517 0.219 14.83 8 3.4 0.3 40 1 2 3 19.818 39.636 0.22 14.73 8 134.6 454.0 41 1 6 0 20.17 40.341 0.224 14.17 4 109.1 143.5 42 2 4 1 20.216 40.432 0.224 14.09 8 89.9 194.1 43 1 5 2 20.822 41.643 0.231 13.2 8 78.5 138.6 44 2 3 2 21.013 42.025 0.233 12.93 8 75.6 125.9 45 1 6 1 21.017 42.033 0.233 12.92 8 77.4 131.7 46 1 3 3 21.069 42.139 0.233 12.85 8 109.5 262.1 47 0 4 3 21.411 42.821 0.237 12.4 4 83.8 74.1 48 2 5 0 21.591 43.183 0.239 12.16 4 168.3 293.1 49 0 6 2 22.122 44.243 0.244 11.52 4 76.9 57.9 50 2 5 1 22.394 44.788 0.247 11.21 8 47.1 42.3 51 3 1 0 22.524 45.048 0.249 11.06 4 128.8 156.1 52 2 4 2 22.673 45.346 0.25 10.9 8 105.3 205.6 53 1 4 3 22.726 45.452 0.251 10.84 8 53.8 53.3 54 2 0 3 22.904 45.809 0.253 10.65 4 149.4 202.4 55 2 1 3 23.132 46.264 0.255 10.41 8 2.2 0.1 56 3 2 0 23.21 46.421 0.256 10.33 4 193.7 330.1 57 0 0 4 23.232 46.464 0.256 10.31 2 301.2 398.2 58 1 7 0 23.269 46.537 0.256 10.28 4 100.8 88.9 59 3 1 1 23.301 46.602 0.257 10.24 8 16.0 4.5 60 1 6 2 23.405 46.811 0.258 10.14 8 78.4 106.0 61 2 2 3 23.805 47.609 0.262 9.76 8 133.3 295.4 62 3 2 1 23.97 47.94 0.264 9.61 8 22.6 8.4 63 1 7 1 24.027 48.054 0.264 9.56 8 6.6 0.7 64 2 6 0 24.11 48.219 0.265 9.48 4 98.6 78.4 65 0 2 4 24.123 48.246 0.265 9.47 4 71.1 40.8 66 3 3 0 24.321 48.641 0.267 9.29 4 9.3 0.7 67 2 5 2 24.677 49.355 0.271 8.99 8 15.5 3.7 68 1 1 4 24.687 49.374 0.271 8.98 8 53.3 43.5 69 1 5 3 24.727 49.455 0.272 8.95 8 28.9 12.7 70 2 6 1 24.848 49.697 0.273 8.85 8 21.9 7.2 71 2 3 3 24.895 49.789 0.273 8.81 8 167.6 421.6 72 3 3 1 25.055 50.109 0.275 8.69 8 34.5 17.6 73 0 8 0 25.323 50.647 0.278 8.48 2 179.2 115.9 74 1 2 4 25.329 50.657 0.278 8.47 8 16.9 4.1 75 3 1 2 25.522 51.045 0.28 8.33 8 40.9 23.7 76 3 4 0 25.814 51.629 0.283 8.12 4 80.3 44.5 77 0 6 3 25.874 51.747 0.283 8.07 4 81.4 45.5 78 0 8 1 26.037 52.073 0.285 7.96 4 55.9 21.2 79 3 2 2 26.149 52.298 0.286 7.88 8 128.9 223.0 80 1 7 2 26.202 52.404 0.287 7.84 8 16.2 3.5 81 2 4 3 26.365 52.73 0.288 7.73 8 135.3 240.9 82 1 3 4 26.372 52.744 0.288 7.73 8 12.1 1.9 83 1 8 0 26.489 52.978 0.29 7.65 4 40.5 10.7 84 3 4 1 26.518 53.037 0.29 7.63 8 25.1 8.2 85 0 4 4 26.661 53.321 0.291 7.54 4 66.8 28.6 86 2 7 0 26.852 53.704 0.293 7.42 4 8.6 0.5 87 2 6 2 26.975 53.95 0.294 7.34 8 78.0 76.0 88 1 6 3 27.022 54.044 0.295 7.31 8 49.0 29.9 89 3 3 2 27.17 54.34 0.296 7.22 8 46.5 26.6 90 1 8 1 27.18 54.361 0.297 7.22 8 96.9 115.4 91 2 7 1 27.537 55.075 0.3 7.01 8 74.0 65.4 92 3 5 0 27.649 55.299 0.301 6.94 4 126.5 94.6 93 1 4 4 27.787 55.573 0.303 6.86 8 43.4 22.1 94 2 0 4 27.941 55.882 0.304 6.78 4 4.6 0.1 95 0 8 2 28.1 56.199 0.306 6.69 4 31.2 5.5 96 2 1 4 28.138 56.276 0.306 6.67 8 67.9 52.3 97 2 5 3 28.175 56.35 0.306 6.65 8 102.2 118.3 98 3 5 1 28.322 56.643 0.308 6.57 8 63.2 44.7 99 3 4 2 28.558 57.115 0.31 6.45 8 144.1 228.0 100 2 2 4 28.725 57.45 0.312 6.37 8 95.8 99.4 101 3 1 3 28.948 57.896 0.314 6.26 8 124.4 164.9 102 1 8 2 29.188 58.377 0.317 6.14 8 150.3 236.2 103 3 2 3 29.524 59.049 0.32 5.98 8 9.5 0.9 104 2 7 2 29.529 59.059 0.32 5.98 8 50.6 26.1 105 1 5 4 29.538 59.076 0.32 5.98 8 136.4 189.4 106 0 0 5 29.543 59.086 0.32 5.98 2 63.6 10.3 107 1 7 3 29.574 59.147 0.32 5.96 8 237.6 573.1 108 2 3 4 29.686 59.373 0.321 5.91 8 81.3 66.5 109 3 6 0 29.788 59.575 0.322 5.87 4 26.7 3.6 110 2 8 0 29.794 59.589 0.323 5.86 4 126.0 79.2 111 1 9 0 29.836 59.673 0.323 5.84 4 151.4 114.1 112 3 5 2 30.28 60.561 0.327 5.65 8 131.9 167.5 113 2 6 3 30.289 60.578 0.327 5.65 8 164.4 260.1 114 0 2 5 30.301 60.601 0.328 5.65 4 160.3 123.4 115 4 0 0 30.382 60.764 0.328 5.61 2 23.2 1.3 116 3 6 1 30.43 60.859 0.329 5.59 8 75.4 54.1 117 2 8 1 30.436 60.873 0.329 5.59 8 93.3 82.9 118 3 3 3 30.47 60.94 0.329 5.58 8 49.1 22.9 119 1 9 1 30.478 60.956 0.329 5.57 8 50.2 23.9 120 0 6 4 30.56 61.119 0.33 5.54 4 126.2 75.1 121 4 1 0 30.569 61.139 0.33 5.54 4 50.0 11.8 122 1 1 5 30.786 61.571 0.332 5.45 8 4.1 0.2 123 2 4 4 31.001 62.003 0.334 5.37 8 66.8 40.8 124 4 0 1 31.017 62.034 0.334 5.36 4 82.3 30.9 125 4 2 0 31.128 62.255 0.336 5.32 4 117.2 62.2 126 4 1 1 31.202 62.404 0.336 5.29 8 26.2 6.2 127 0 8 3 31.337 62.674 0.338 5.24 4 26.9 3.2 128 1 2 5 31.342 62.683 0.338 5.24 8 135.3 163.3 129 1 6 4 31.596 63.191 0.34 5.15 8 21.1 3.9 130 4 2 1 31.754 63.507 0.342 5.09 8 4.9 0.2 131 3 4 3 31.766 63.532 0.342 5.09 8 107.0 99.2 132 4 3 0 32.045 64.091 0.344 4.99 4 248.2 261.6 133 3 7 0 32.2 64.4 0.346 4.94 4 8.6 0.3 134 1 3 5 32.256 64.512 0.346 4.92 8 182.1 277.8 135 3 6 2 32.31 64.621 0.347 4.9 8 243.0 492.8 136 2 8 2 32.317 64.634 0.347 4.9 8 39.6 13.1 137 0 10 0 32.321 64.641 0.347 4.9 2 234.1 114.3 138 1 9 2 32.357 64.714 0.347 4.89 8 246.2 504.4 139 1 8 3 32.359 64.718 0.347 4.89 8 94.1 73.6 140 0 4 5 32.511 65.021 0.349 4.84 4 33.2 4.5 141 2 5 4 32.647 65.293 0.35 4.79 8 110.4 99.5 142 4 3 1 32.662 65.323 0.35 4.79 8 10.5 0.9 143 2 7 3 32.68 65.36 0.35 4.78 8 105.8 91.2 144 3 7 1 32.815 65.629 0.352 4.74 8 71.3 41.0 145 4 0 2 32.879 65.757 0.352 4.72 4 14.4 0.8 146 2 9 0 32.929 65.857 0.353 4.71 4 46.5 8.7 147 0 10 1 32.934 65.868 0.353 4.7 4 79.0 25.0 148 4 1 2 33.058 66.116 0.354 4.67 8 217.8 376.8 149 4 4 0 33.307 66.614 0.356 4.59 4 62.8 15.4 150 1 10 0 33.326 66.652 0.357 4.59 4 78.3 23.9 151 3 1 4 33.357 66.714 0.357 4.58 8 25.5 5.1 152 3 5 3 33.39 66.781 0.357 4.57 8 36.6 10.4 153 1 4 5 33.513 67.026 0.358 4.53 8 74.1 42.3 154 2 9 1 33.536 67.073 0.359 4.53 8 27.9 6.0 155 4 2 2 33.593 67.186 0.359 4.51 8 38.5 11.4 156 2 0 5 33.652 67.303 0.36 4.49 4 76.0 22.1 157 2 1 5 33.829 67.658 0.361 4.45 8 165.5 207.1 158 3 2 4 33.89 67.78 0.362 4.43 8 181.5 248.3 159 4 4 1 33.911 67.822 0.362 4.42 8 117.8 104.4 160 1 10 1 33.93 67.861 0.362 4.42 8 28.4 6.1 161 1 7 4 33.936 67.871 0.362 4.42 8 127.9 123.0 162 2 2 5 34.358 68.716 0.366 4.3 8 152.5 170.4 163 4 3 2 34.476 68.952 0.367 4.27 8 27.2 5.4 164 2 6 4 34.601 69.201 0.369 4.24 8 43.2 13.5 165 3 7 2 34.625 69.25 0.369 4.24 8 6.1 0.3 166 0 10 2 34.742 69.483 0.37 4.21 4 38.1 5.2 167 3 3 4 34.769 69.539 0.37 4.2 8 39.7 11.3 168 3 8 0 34.869 69.737 0.371 4.18 4 169.9 102.6 169 4 5 0 34.895 69.789 0.371 4.17 4 110.1 43.0 170 1 5 5 35.097 70.193 0.373 4.12 8 15.6 1.7 171 2 3 5 35.232 70.464 0.374 4.09 8 44.4 13.7 172 3 6 3 35.324 70.649 0.375 4.07 8 37.4 9.7 173 2 9 2 35.329 70.658 0.375 4.07 8 85.0 50.1 174 2 8 3 35.331 70.661 0.375 4.07 8 2.8 0.1 175 1 9 3 35.369 70.738 0.376 4.06 8 0.4 0.0 176 3 8 1 35.46 70.921 0.377 4.04 8 81.7 45.9 177 4 5 1 35.486 70.972 0.377 4.03 8 24.6 4.1 178 0 8 4 35.581 71.161 0.378 4.01 4 92.9 29.5 179 4 4 2 35.695 71.39 0.379 3.99 8 53.2 19.2 180 1 10 2 35.714 71.427 0.379 3.98 8 15.2 1.6 181 4 0 3 35.869 71.738 0.38 3.95 4 166.4 93.1 182 3 4 4 35.984 71.967 0.381 3.92 8 7.1 0.3 183 0 6 5 36.032 72.065 0.382 3.91 4 192.7 123.7 184 4 1 3 36.042 72.083 0.382 3.91 8 40.2 10.8 185 2 10 0 36.26 72.519 0.384 3.87 4 19.8 1.3 186 0 0 6 36.277 72.554 0.384 3.86 2 242.3 96.5 187 2 4 5 36.44 72.879 0.386 3.83 8 83.8 45.8 188 1 8 4 36.543 73.086 0.387 3.81 8 52.7 18.0 189 4 2 3 36.556 73.113 0.387 3.81 8 106.0 72.8 190 4 6 0 36.793 73.585 0.389 3.76 4 29.4 2.8 191 2 10 1 36.842 73.684 0.389 3.75 8 89.7 51.4 192 2 7 4 36.847 73.694 0.389 3.75 8 4.9 0.2 193 0 2 6 36.961 73.922 0.39 3.73 4 90.4 25.9 194 1 11 0 36.982 73.964 0.39 3.72 4 5.6 0.1 195 1 6 5 36.99 73.981 0.391 3.72 8 95.5 57.8 196 3 8 2 37.212 74.423 0.393 3.68 8 37.2 8.7 197 4 5 2 37.237 74.474 0.393 3.68 8 46.1 13.3 198 4 6 1 37.372 74.744 0.394 3.65 8 65.6 26.7 199 1 1 6 37.402 74.804 0.394 3.65 8 3.0 0.1 200 4 3 3 37.409 74.817 0.394 3.65 8 91.1 51.5 201 3 5 4 37.521 75.043 0.395 3.63 8 15.8 1.5 202 3 7 3 37.553 75.106 0.396 3.62 8 25.4 4.0 203 1 11 1 37.56 75.12 0.396 3.62 8 89.5 49.4 204 0 10 3 37.665 75.331 0.397 3.6 4 132.6 53.9 205 3 9 0 37.787 75.574 0.398 3.58 4 166.0 83.9 206 1 2 6 37.91 75.82 0.399 3.56 8 33.4 6.8 207 2 5 5 37.97 75.941 0.399 3.55 8 0.5 0.0 208 2 9 3 38.235 76.469 0.402 3.51 8 50.5 15.2 209 3 9 1 38.361 76.721 0.403 3.49 8 4.4 0.1 210 2 10 2 38.57 77.139 0.405 3.45 8 132.5 103.2 211 4 4 3 38.59 77.18 0.405 3.45 8 49.7 14.5 212 1 10 3 38.608 77.217 0.405 3.45 8 62.2 22.7 213 3 1 5 38.638 77.275 0.405 3.44 8 16.7 1.6 214 1 3 6 38.752 77.504 0.406 3.43 8 122.1 86.9 215 0 4 6 38.988 77.975 0.408 3.39 4 114.3 37.7 216 4 7 0 38.99 77.979 0.408 3.39 4 73.5 15.6 217 4 6 2 39.091 78.183 0.409 3.38 8 92.1 48.8 218 3 2 5 39.14 78.281 0.41 3.37 8 6.5 0.2 219 1 7 5 39.184 78.367 0.41 3.36 8 100.2 57.5 220 1 11 2 39.277 78.554 0.411 3.35 8 84.0 40.3 221 3 6 4 39.371 78.743 0.412 3.34 8 49.7 14.0 222 2 8 4 39.377 78.755 0.412 3.34 8 22.0 2.7 223 5 1 0 39.38 78.76 0.412 3.34 4 41.3 4.8 224 1 9 4 39.414 78.829 0.412 3.33 8 1.9 0.0 225 4 7 1 39.558 79.116 0.413 3.31 8 5.1 0.1 226 2 11 0 39.806 79.611 0.416 3.28 4 33.9 3.2 227 2 6 5 39.814 79.628 0.416 3.28 8 36.9 7.6 228 5 2 0 39.88 79.761 0.416 3.27 4 0.7 0.0 229 4 0 4 39.896 79.793 0.416 3.27 4 7.1 0.1 230 0 12 0 39.91 79.821 0.416 3.27 2 80.8 9.1 231 1 4 6 39.921 79.842 0.417 3.26 8 42.4 10.0 232 5 1 1 39.947 79.894 0.417 3.26 8 133.2 98.5 233 3 3 5 39.974 79.949 0.417 3.26 8 69.1 26.5 234 2 0 6 40.051 80.101 0.418 3.25 4 21.6 1.3 235 4 1 4 40.063 80.126 0.418 3.25 8 5.3 0.2 236 3 9 2 40.067 80.134 0.418 3.25 8 29.0 4.6 237 3 8 3 40.069 80.138 0.418 3.25 8 18.6 1.9 238 4 5 3 40.094 80.187 0.418 3.24 8 87.4 42.2 239 2 1 6 40.217 80.433 0.419 3.23 8 74.5 30.5 240 2 11 1 40.371 80.742 0.42 3.21 8 80.0 35.0 241 5 2 1 40.446 80.891 0.421 3.2 8 52.7 15.1 242 0 12 1 40.475 80.951 0.421 3.2 4 65.1 11.5 243 4 2 4 40.561 81.122 0.422 3.19 8 18.6 1.9 244 5 3 0 40.71 81.421 0.423 3.17 4 71.8 13.9 245 2 2 6 40.714 81.429 0.423 3.17 8 53.8 15.6 246 0 8 5 40.749 81.497 0.424 3.17 4 65.4 11.5 247 1 12 0 40.838 81.677 0.424 3.16 4 109.4 32.1 248 3 10 0 40.961 81.923 0.426 3.14 4 171.2 78.3 249 3 4 5 41.135 82.27 0.427 3.12 8 29.6 4.7 250 4 7 2 41.252 82.504 0.428 3.11 8 96.2 49.0 251 5 3 1 41.273 82.546 0.428 3.11 8 48.1 12.2 252 4 3 4 41.388 82.776 0.429 3.1 8 143.1 108.0 253 2 10 3 41.4 82.8 0.429 3.1 8 45.9 11.1 254 1 12 1 41.401 82.802 0.429 3.1 8 65.0 22.3 255 1 5 6 41.412 82.825 0.429 3.09 8 38.5 7.8 256 4 8 0 41.482 82.963 0.43 3.09 4 43.7 5.0 257 3 10 1 41.523 83.047 0.43 3.08 8 56.1 16.5 258 3 7 4 41.528 83.057 0.43 3.08 8 32.7 5.6 259 2 3 6 41.541 83.082 0.43 3.08 8 7.3 0.3 260 5 1 2 41.637 83.274 0.431 3.07 8 14.4 1.1 261 0 10 4 41.638 83.276 0.431 3.07 4 65.3 11.1 262 1 8 5 41.673 83.345 0.432 3.07 8 49.0 12.5 263 5 4 0 41.867 83.733 0.433 3.05 4 98.3 25.1 264 4 6 3 41.913 83.827 0.434 3.05 8 8.6 0.4 265 2 7 5 41.966 83.932 0.434 3.04 8 71.5 26.5 266 4 8 1 42.042 84.085 0.435 3.03 8 16.4 1.4 267 2 11 2 42.058 84.115 0.435 3.03 8 46.8 11.3 268 1 11 3 42.096 84.192 0.435 3.03 8 50.8 13.3 269 5 2 2 42.131 84.263 0.435 3.03 8 41.7 9.0 270 0 12 2 42.161 84.322 0.436 3.02 4 19.9 1.0 271 2 9 4 42.193 84.387 0.436 3.02 8 79.3 32.3 272 0 6 6 42.303 84.607 0.437 3.01 4 18.7 0.9 273 5 4 1 42.427 84.853 0.438 3.0 8 52.4 14.0 274 4 4 4 42.541 85.082 0.439 2.99 8 16.1 1.3 275 1 10 4 42.559 85.117 0.439 2.99 8 57.6 16.9 276 3 5 5 42.618 85.236 0.44 2.98 8 62.7 20.0 277 2 4 6 42.693 85.386 0.44 2.98 8 34.1 5.9 278 3 9 3 42.876 85.751 0.442 2.96 8 62.7 19.8 279 5 3 2 42.953 85.907 0.442 2.96 8 95.7 46.1 280 1 12 2 43.08 86.161 0.443 2.95 8 33.0 5.5 281 3 10 2 43.202 86.404 0.444 2.94 8 28.2 4.0 282 1 6 6 43.222 86.444 0.445 2.94 8 12.8 0.8 283 5 5 0 43.346 86.692 0.446 2.93 4 37.4 3.5 284 2 12 0 43.601 87.201 0.448 2.91 4 36.4 3.3 285 0 0 7 43.654 87.308 0.448 2.91 2 97.4 11.7 286 4 8 2 43.719 87.438 0.449 2.9 8 65.2 21.0 287 5 5 1 43.904 87.808 0.45 2.89 8 72.5 25.9 288 3 8 4 43.993 87.987 0.451 2.88 8 131.2 84.5 289 4 5 4 44.018 88.036 0.451 2.88 8 69.6 23.7 290 4 7 3 44.048 88.097 0.451 2.88 8 19.4 1.8 291 5 4 2 44.102 88.203 0.452 2.88 8 8.1 0.3 292 2 12 1 44.158 88.316 0.452 2.87 8 26.2 3.4 293 2 5 6 44.17 88.339 0.452 2.87 8 47.3 10.9 294 4 9 0 44.275 88.549 0.453 2.87 4 23.5 1.3 295 0 2 7 44.31 88.619 0.453 2.87 4 133.4 43.4 296 3 11 0 44.414 88.828 0.454 2.86 4 48.1 5.6 297 3 6 5 44.422 88.845 0.454 2.86 8 125.7 76.8 298 2 8 5 44.428 88.856 0.454 2.86 8 98.1 46.9 299 5 1 3 44.431 88.862 0.454 2.86 8 18.5 1.7 300 1 9 5 44.464 88.929 0.455 2.86 8 84.9 35.0 301 1 1 7 44.734 89.469 0.457 2.84 8 28.1 3.8 302 3 1 6 44.819 89.638 0.458 2.84 8 67.4 21.9 303 4 9 1 44.832 89.664 0.458 2.84 8 74.4 26.7 304 2 11 3 44.849 89.698 0.458 2.84 8 40.2 7.8 305 5 2 3 44.922 89.844 0.458 2.83 8 88.8 38.1 306 4 0 5 44.938 89.876 0.458 2.83 4 37.1 3.3 307 1 13 0 44.948 89.895 0.459 2.83 4 167.7 67.7 308 0 12 3 44.952 89.904 0.459 2.83 4 164.8 65.4 309 3 11 1 44.971 89.943 0.459 2.83 8 15.7 1.2 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 2 0 6.138 12.277 7.2035 664.5 17.4 17.5 5.6 2 1 1 0 7.891 15.781 5.61099 770.8 20.1 20.2 5.6 3 0 2 1 8.364 16.728 5.2954 320.9 8.4 8.4 5.6 4 1 1 1 9.731 19.463 4.55708 85.5 2.2 2.2 5.6 5 1 2 1 11.112 22.225 3.99659 3827.7 100.0 100.0 5.6 6 1 3 0 11.785 23.57 3.77142 382.5 10.0 10.0 5.6 7 0 2 2 12.965 25.93 3.43335 663.4 17.3 17.3 5.6 8 1 3 1 13.109 26.218 3.39626 1162.0 30.4 30.3 5.6 9 1 1 2 13.904 27.809 3.20546 1789.0 46.7 46.5 5.6 10 1 4 0 14.385 28.771 3.10041 444.6 11.6 11.6 5.6 11 2 0 0 14.648 29.296 3.046 290.8 7.6 7.6 5.6 12 1 2 2 14.923 29.847 2.99104 170.4 4.5 4.4 5.6 13 2 1 0 14.979 29.959 2.98012 52.1 1.4 1.4 5.6 14 1 4 1 15.504 31.007 2.8817 204.0 5.3 5.3 5.6 15 2 0 1 15.749 31.499 2.83786 397.8 10.4 10.3 5.6 16 2 1 1 16.06 32.12 2.78435 726.3 19.0 18.8 5.6 17 1 3 2 16.495 32.989 2.71296 317.5 8.3 8.2 5.6 18 0 4 2 16.913 33.827 2.6477 2047.1 53.5 53.0 5.7 19 2 2 1 16.962 33.924 2.64035 206.9 5.4 5.4 5.7 20 1 5 0 17.201 34.402 2.60474 864.0 22.6 22.4 5.7 21 2 3 0 17.425 34.85 2.57222 410.8 10.7 10.6 5.7 22 1 5 1 18.164 36.327 2.47097 114.8 3.0 3.0 5.7 23 0 2 3 18.335 36.67 2.44863 269.4 7.0 7.0 5.7 24 1 4 2 18.494 36.989 2.42827 51.2 1.3 1.3 5.7 25 2 0 2 18.705 37.411 2.40186 955.8 25.0 24.7 5.7 26 2 1 2 18.973 37.947 2.36917 260.0 6.8 6.7 5.7 27 1 1 3 19.035 38.07 2.36178 107.9 2.8 2.8 5.7 28 2 4 0 19.341 38.682 2.32579 423.4 11.1 10.9 5.7 29 0 6 1 19.61 39.219 2.29517 294.6 7.7 7.6 5.7 30 1 2 3 19.818 39.636 2.27197 454.0 11.9 11.7 5.7 31 1 6 0 20.17 40.341 2.2339 143.5 3.7 3.7 5.7 32 2 4 1 20.216 40.432 2.22908 194.1 5.1 5.0 5.7 33 1 5 2 20.822 41.643 2.167 138.6 3.6 3.6 5.7 34 1 6 1 21.017 42.033 2.14779 257.6 6.7 6.6 5.7 35 1 3 3 21.069 42.139 2.14266 262.1 6.8 6.7 5.7 36 0 4 3 21.411 42.821 2.11007 74.1 1.9 1.9 5.7 37 2 5 0 21.591 43.183 2.09323 293.1 7.7 7.5 5.7 38 0 6 2 22.122 44.243 2.04549 57.9 1.5 1.5 5.7 39 2 5 1 22.394 44.788 2.02189 42.3 1.1 1.1 5.7 40 3 1 0 22.524 45.048 2.01079 156.1 4.1 4.0 5.7 41 2 4 2 22.673 45.346 1.99829 205.6 5.4 5.3 5.7 42 1 4 3 22.726 45.452 1.99386 53.3 1.4 1.4 5.7 43 2 0 3 22.904 45.809 1.97916 202.4 5.3 5.2 5.7 44 0 0 4 23.232 46.464 1.95275 728.3 19.0 18.6 5.7 45 1 7 0 23.269 46.537 1.94987 88.9 2.3 2.3 5.7 46 1 6 2 23.405 46.811 1.9391 106.0 2.8 2.7 5.7 47 2 2 3 23.805 47.609 1.90844 295.4 7.7 7.5 5.7 48 2 6 0 24.11 48.219 1.88571 119.2 3.1 3.0 5.7 49 1 1 4 24.687 49.374 1.84425 47.2 1.2 1.2 5.7 50 2 3 3 24.895 49.789 1.82985 421.6 11.0 10.7 5.7 51 0 8 0 25.323 50.647 1.80087 120.0 3.1 3.1 5.8 52 3 4 0 25.814 51.629 1.7689 44.5 1.2 1.1 5.8 53 0 6 3 25.874 51.747 1.76513 45.5 1.2 1.2 5.8 54 3 2 2 26.149 52.298 1.74784 223.0 5.8 5.7 5.8 55 2 4 3 26.365 52.73 1.73454 242.9 6.3 6.2 5.8 56 2 6 2 26.975 53.95 1.69813 76.0 2.0 1.9 5.8 57 1 8 1 27.18 54.361 1.68627 142.0 3.7 3.6 5.8 58 2 7 1 27.537 55.075 1.6661 65.4 1.7 1.7 5.8 59 3 5 0 27.649 55.299 1.65987 94.6 2.5 2.4 5.8 60 2 1 4 28.138 56.276 1.63333 52.3 1.4 1.3 5.8 61 2 5 3 28.175 56.35 1.63139 118.3 3.1 3.0 5.8 62 3 5 1 28.322 56.643 1.62362 44.7 1.2 1.1 5.8 63 3 4 2 28.558 57.115 1.61133 228.0 6.0 5.7 5.8 64 2 2 4 28.725 57.45 1.60273 99.4 2.6 2.5 5.8 65 3 1 3 28.948 57.896 1.59144 164.9 4.3 4.2 5.8 66 1 8 2 29.188 58.377 1.57946 236.2 6.2 5.9 5.8 67 1 5 4 29.538 59.076 1.56243 225.8 5.9 5.7 5.8 68 1 7 3 29.574 59.147 1.56072 573.1 15.0 14.4 5.8 69 2 3 4 29.686 59.373 1.55533 66.5 1.7 1.7 5.8 70 2 8 0 29.794 59.589 1.55021 82.8 2.2 2.1 5.8 71 1 9 0 29.836 59.673 1.54822 114.1 3.0 2.9 5.8 72 2 6 3 30.289 60.578 1.52723 551.0 14.4 13.8 5.8 73 2 8 1 30.436 60.873 1.52055 137.0 3.6 3.4 5.8 74 1 9 1 30.478 60.956 1.51868 46.8 1.2 1.2 5.8 75 0 6 4 30.56 61.119 1.515 86.9 2.3 2.2 5.8 76 2 4 4 31.001 62.003 1.49552 71.7 1.9 1.8 5.8 77 4 2 0 31.128 62.255 1.49006 62.2 1.6 1.6 5.8 78 1 2 5 31.342 62.683 1.48091 166.5 4.3 4.2 5.8 79 3 4 3 31.766 63.532 1.46316 99.2 2.6 2.5 5.9 80 4 3 0 32.045 64.091 1.45174 261.6 6.8 6.5 5.9 81 1 3 5 32.256 64.512 1.44328 277.8 7.3 6.9 5.9 82 3 6 2 32.31 64.621 1.44111 620.1 16.2 15.5 5.9 83 1 9 2 32.357 64.714 1.43926 578.0 15.1 14.4 5.9 84 2 5 4 32.647 65.293 1.42788 100.4 2.6 2.5 5.9 85 2 7 3 32.68 65.36 1.42658 91.2 2.4 2.3 5.9 86 3 7 1 32.815 65.629 1.42138 41.0 1.1 1.0 5.9 87 4 1 2 33.058 66.116 1.4121 376.8 9.8 9.4 5.9 88 1 10 0 33.326 66.652 1.40203 39.3 1.0 1.0 5.9 89 1 4 5 33.513 67.026 1.39511 48.3 1.3 1.2 5.9 90 2 1 5 33.829 67.658 1.38362 207.1 5.4 5.1 5.9 91 3 2 4 33.89 67.78 1.38142 352.7 9.2 8.7 5.9 92 1 7 4 33.936 67.871 1.37978 129.1 3.4 3.2 5.9 93 2 2 5 34.358 68.716 1.36487 170.4 4.5 4.2 5.9 94 3 8 0 34.869 69.737 1.34736 145.6 3.8 3.6 5.9 95 2 9 2 35.329 70.658 1.33205 59.8 1.6 1.5 5.9 96 3 8 1 35.46 70.921 1.32775 50.1 1.3 1.2 5.9 97 4 0 3 35.869 71.738 1.31461 93.1 2.4 2.3 5.9 98 0 6 5 36.032 72.065 1.30946 134.5 3.5 3.3 5.9 99 0 0 6 36.277 72.554 1.30183 97.8 2.6 2.4 6.0 100 2 4 5 36.44 72.879 1.29682 45.8 1.2 1.1 6.0 101 4 2 3 36.556 73.113 1.29325 90.8 2.4 2.2 6.0 102 2 10 1 36.842 73.684 1.28463 51.5 1.3 1.3 6.0 103 1 6 5 36.99 73.981 1.28022 83.8 2.2 2.1 6.0 104 4 3 3 37.409 74.817 1.26796 51.5 1.3 1.3 6.0 105 1 11 1 37.56 75.12 1.2636 53.3 1.4 1.3 6.0 106 0 10 3 37.665 75.331 1.26058 53.9 1.4 1.3 6.0 107 3 9 0 37.787 75.574 1.25714 83.9 2.2 2.1 6.0 108 2 10 2 38.57 77.139 1.23549 117.7 3.1 2.9 6.0 109 1 3 6 38.752 77.504 1.23058 86.9 2.3 2.1 6.0 110 0 4 6 38.988 77.975 1.22431 53.3 1.4 1.3 6.0 111 4 6 2 39.091 78.183 1.22158 48.8 1.3 1.2 6.0 112 1 7 5 39.184 78.367 1.21917 57.5 1.5 1.4 6.0 113 1 11 2 39.277 78.554 1.21674 40.3 1.1 1.0 6.0 114 5 1 1 39.947 79.894 1.19966 144.1 3.8 3.5 6.0 115 4 5 3 40.094 80.187 1.19601 50.2 1.3 1.2 6.0 116 3 10 0 40.961 81.923 1.17502 78.3 2.0 1.9 6.1 117 4 7 2 41.252 82.504 1.16821 61.2 1.6 1.5 6.1 118 4 3 4 41.388 82.776 1.16506 149.2 3.9 3.6 6.1 119 5 3 2 42.953 85.907 1.13043 46.1 1.2 1.1 6.1 120 3 8 4 43.993 87.987 1.109 108.3 2.8 2.6 6.2 121 0 2 7 44.31 88.619 1.10271 43.4 1.1 1.0 6.2 122 2 8 5 44.428 88.856 1.10038 131.0 3.4 3.1 6.2 123 4 9 1 44.832 89.664 1.09255 56.5 1.5 1.3 6.2 124 0 12 3 44.952 89.904 1.09026 175.7 4.6 4.1 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) |