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 *** *********************** ROLLANDITE 1 Cu(3)[AsO(4)](2).4H(2)O Orthorhombic P nma Z = 4 R =0.086 NR =1407 7 .5 .1901 Ref.Str.: H. Sarp, R. Cerny (2000) * Eur. J. Mineral., 12, 1045-1050 Reserv: from Alpes-Maritimes, France. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.6906 alpha = 90.0 b = 17.061 beta = 90.0 c = 9.732 gamma = 90.0 Unit cell volume (cub. angs.) = 944.85 Molar volume ( cub.cm/mol.) = 142.28 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.4264 0.5138 0.351 0.01 Cu = 1.00 2 0.023 0.25 0.2214 0.01 Cu = 1.00 3 0.3649 0.1032 0.1004 0.01 As = 1.00 4 0.019 0.1463 0.5231 0.01 O = 1.00 5 0.024 0.0351 0.3188 0.01 O = 1.00 6 0.116 0.0611 0.0365 0.01 O = 1.00 7 0.275 0.5962 0.2386 0.01 H(2)O = 1.00 8 0.28 0.1745 0.215 0.01 O = 1.00 9 0.214 0.25 0.823 0.03 H(2)O = 1.00 10 0.36 0.25 0.4547 0.01 H(2)O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.4264 0.5138 0.351 2 2 0.023 0.25 0.2214 3 3 0.3649 0.1032 0.1004 4 4 0.019 0.1463 0.5231 5 5 0.024 0.0351 0.3188 6 6 0.116 0.0611 0.0365 7 7 0.275 0.5962 0.2386 8 8 0.28 0.1745 0.215 9 9 0.214 0.25 0.823 10 10 0.36 0.25 0.4547 11 1 0.0736 0.4862 0.851 12 2 0.477 0.75 0.7214 13 3 0.1351 0.8968 0.6004 14 4 0.481 0.8537 0.0231 15 5 0.476 0.9649 0.8188 16 6 0.384 0.9389 0.5365 17 7 0.225 0.4038 0.7386 18 8 0.22 0.8255 0.715 19 9 0.286 0.75 0.323 20 10 0.14 0.75 0.9547 21 1 0.0736 0.0138 0.851 22 3 0.1351 0.6032 0.6004 23 4 0.481 0.6463 0.0231 24 5 0.476 0.5351 0.8188 25 6 0.384 0.5611 0.5365 26 7 0.225 0.0962 0.7386 27 8 0.22 0.6745 0.715 28 1 0.4264 0.9862 0.351 29 3 0.3649 0.3968 0.1004 30 4 0.019 0.3537 0.5231 31 5 0.024 0.4649 0.3188 32 6 0.116 0.4389 0.0365 33 7 0.275 0.9038 0.2386 34 8 0.28 0.3255 0.215 35 1 0.9264 0.5138 0.149 36 2 0.523 0.25 0.2786 37 3 0.8649 0.1032 0.3996 38 4 0.519 0.1463 0.9769 39 5 0.524 0.0351 0.1812 40 6 0.616 0.0611 0.4635 41 7 0.775 0.5962 0.2614 42 8 0.78 0.1745 0.285 43 9 0.714 0.25 0.677 44 10 0.86 0.25 0.0453 45 1 0.5736 0.4862 0.649 46 2 0.977 0.75 0.7786 47 3 0.6351 0.8968 0.8996 48 4 0.981 0.8537 0.4769 49 5 0.976 0.9649 0.6812 50 6 0.884 0.9389 0.9635 51 7 0.725 0.4038 0.7614 52 8 0.72 0.8255 0.785 53 9 0.786 0.75 0.177 54 10 0.64 0.75 0.5453 55 1 0.5736 0.0138 0.649 56 3 0.6351 0.6032 0.8996 57 4 0.981 0.6463 0.4769 58 5 0.976 0.5351 0.6812 59 6 0.884 0.5611 0.9635 60 7 0.725 0.0962 0.7614 61 8 0.72 0.6745 0.785 62 1 0.9264 0.9862 0.149 63 3 0.8649 0.3968 0.3996 64 4 0.519 0.3537 0.9769 65 5 0.524 0.4649 0.1812 66 6 0.616 0.4389 0.4635 67 7 0.775 0.9038 0.2614 68 8 0.78 0.3255 0.285 X-ray density (g/cm cub.) = 3.8 MU (1/cm) = 174.862 Mass attenuation coefficient (cm**2/g) = 46.033 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 2.976 6 1.9787 7 1.9921 6 2.4572 5 2.583 7 1.9327 5 1.9989 6 2 Cu 2.976 6 1.9499 8 2.972 10 1.9499 8 1.9886 8 1.9487 10 1.9886 8 3 As 2.628 4 1.7055 6 1.7196 8 1.6596 4 1.6697 5 4 O 3.432 8 2.7483 5 3.3805 8 2.709 10 2.5501 7 2.7764 6 2.7296 8 2.8958 9 2.9846 7 5 O 3.432 10 2.7483 4 2.8317 6 2.9663 8 3.3733 6 2.769 7 3.1447 5 3.1447 5 2.7514 6 2.7735 8 2.7089 7 6 O 3.432 7 2.8317 5 2.7626 8 3.3733 5 3.0246 7 2.7764 4 2.7514 5 2.5679 6 7 H(2)O 3.6 10 2.7502 9 2.5501 4 3.0246 6 2.769 5 3.4481 6 2.8539 7 2.8539 7 2.9846 4 3.5323 6 2.7089 5 8 O 3.432 10 3.3805 4 2.9663 5 2.7626 6 2.7034 10 2.5762 8 2.7296 4 2.7735 5 2.9257 8 2.9257 8 3.1779 10 9 H(2)O 3.6 9 3.5889 4 2.7502 7 2.7502 7 3.5889 4 2.8958 4 3.1803 9 3.1803 9 2.9561 10 2.8958 4 10 H(2)O 3.6 9 2.709 4 2.7034 8 2.709 4 2.7034 8 3.5378 6 3.1779 8 2.9561 9 3.5378 6 3.1779 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 2 0 5.181 10.361 0.059 242.31 2 177.9 1718.5 2 0 1 1 5.228 10.456 0.059 237.9 4 187.8 3758.8 3 1 0 1 9.021 18.043 0.102 78.41 4 20.2 14.4 4 0 3 1 9.026 18.051 0.102 78.34 4 19.3 13.1 5 0 0 2 9.108 18.216 0.103 76.88 2 118.2 240.4 6 1 1 1 9.391 18.782 0.106 72.19 8 100.5 653.8 7 0 4 0 10.404 20.809 0.117 58.41 2 79.8 83.4 8 1 2 1 10.425 20.849 0.117 58.18 8 58.5 178.5 9 0 2 2 10.5 21.001 0.118 57.31 4 46.7 55.9 10 1 3 1 11.958 23.917 0.134 43.7 8 167.8 1102.7 11 1 0 2 12.022 24.043 0.135 43.22 4 90.1 157.1 12 1 1 2 12.305 24.61 0.138 41.16 8 53.5 105.8 13 1 2 2 13.121 26.242 0.147 35.95 8 18.6 11.2 14 1 4 1 13.837 27.675 0.155 32.13 8 263.8 2002.7 15 0 5 1 13.84 27.681 0.155 32.11 4 19.2 5.3 16 0 4 2 13.895 27.791 0.156 31.84 4 204.6 597.0 17 0 1 3 13.987 27.974 0.157 31.4 4 43.5 26.6 18 1 3 2 14.386 28.771 0.161 29.58 8 207.2 1137.7 19 2 0 0 15.707 31.414 0.176 24.5 2 161.3 142.8 20 0 6 0 15.717 31.435 0.176 24.46 2 114.0 71.2 21 1 0 3 15.862 31.724 0.177 23.98 4 123.7 164.4 22 0 3 3 15.864 31.729 0.177 23.98 4 291.4 912.1 23 2 1 0 15.93 31.86 0.178 23.76 4 75.0 60.0 24 1 5 1 15.954 31.907 0.178 23.69 8 28.0 16.7 25 1 4 2 16.002 32.004 0.179 23.53 8 243.4 1249.2 26 1 1 3 16.083 32.165 0.18 23.28 8 92.3 177.9 27 2 0 1 16.383 32.766 0.183 22.37 4 242.3 588.4 28 2 2 0 16.582 33.163 0.185 21.79 4 82.5 66.4 29 2 1 1 16.597 33.195 0.185 21.74 8 81.3 128.7 30 1 2 3 16.729 33.458 0.187 21.37 8 33.7 21.8 31 2 2 1 17.227 34.454 0.192 20.05 8 138.3 343.9 32 2 3 0 17.621 35.241 0.196 19.09 4 92.7 73.5 33 1 3 3 17.761 35.521 0.198 18.76 8 12.3 2.6 34 1 5 2 17.888 35.775 0.199 18.47 8 44.5 32.8 35 2 3 1 18.233 36.467 0.203 17.71 8 71.8 81.7 36 1 6 1 18.24 36.48 0.203 17.7 8 72.2 82.7 37 2 0 2 18.277 36.553 0.204 17.62 4 17.1 2.3 38 0 6 2 18.286 36.571 0.204 17.6 4 13.5 1.4 39 0 0 4 18.457 36.914 0.206 17.24 2 113.8 50.0 40 2 1 2 18.472 36.944 0.206 17.21 8 62.9 61.0 41 2 4 0 18.992 37.983 0.211 16.19 4 224.9 367.0 42 0 7 1 19.014 38.028 0.211 16.15 4 153.1 169.6 43 2 2 2 19.047 38.094 0.212 16.09 8 0.7 0.0 44 1 4 3 19.123 38.246 0.213 15.95 8 165.9 393.2 45 0 5 3 19.125 38.25 0.213 15.94 4 38.9 10.8 46 0 2 4 19.222 38.443 0.214 15.76 4 263.7 491.2 47 2 4 1 19.567 39.135 0.217 15.15 8 22.4 6.8 48 2 3 2 19.975 39.949 0.222 14.48 8 0.0 0.0 49 1 6 2 19.981 39.962 0.222 14.47 8 145.9 275.8 50 1 0 4 20.14 40.281 0.224 14.21 4 114.8 83.9 51 1 1 4 20.32 40.64 0.225 13.93 8 38.7 18.7 52 2 5 0 20.64 41.279 0.229 13.46 4 147.0 130.4 53 1 7 1 20.659 41.317 0.229 13.43 8 64.0 49.3 54 1 5 3 20.762 41.524 0.23 13.28 8 15.7 2.9 55 1 2 4 20.852 41.705 0.231 13.15 8 106.0 132.3 56 2 0 3 21.106 42.212 0.234 12.8 4 220.2 278.1 57 0 8 0 21.173 42.346 0.234 12.71 2 300.6 257.2 58 2 5 1 21.178 42.356 0.235 12.7 8 134.5 205.9 59 2 4 2 21.216 42.432 0.235 12.65 8 185.1 388.6 60 2 1 3 21.279 42.559 0.236 12.57 8 106.7 128.2 61 0 4 4 21.376 42.752 0.237 12.44 4 5.4 0.2 62 1 3 4 21.716 43.431 0.24 12.01 8 49.5 26.3 63 2 2 3 21.793 43.585 0.241 11.91 8 45.5 22.1 64 1 7 2 22.241 44.482 0.246 11.38 8 30.4 9.4 65 2 6 0 22.518 45.036 0.249 11.07 4 77.8 30.0 66 2 3 3 22.627 45.254 0.25 10.95 8 0.3 0.0 67 1 6 3 22.633 45.265 0.25 10.94 8 145.5 207.6 68 2 5 2 22.731 45.462 0.251 10.83 8 50.4 24.7 69 1 4 4 22.88 45.76 0.252 10.67 8 11.3 1.2 70 2 6 1 23.021 46.042 0.254 10.53 8 37.6 13.4 71 1 8 1 23.188 46.377 0.256 10.36 8 14.3 1.9 72 0 8 2 23.226 46.451 0.256 10.32 4 81.4 30.6 73 0 7 3 23.285 46.569 0.257 10.26 4 213.0 208.6 74 0 1 5 23.473 46.946 0.259 10.07 4 83.1 31.2 75 2 4 3 23.756 47.512 0.261 9.8 8 61.3 33.0 76 1 5 4 24.313 48.626 0.267 9.3 8 30.7 7.8 77 3 0 1 24.439 48.878 0.269 9.19 4 71.3 20.9 78 0 9 1 24.455 48.909 0.269 9.18 4 35.7 5.2 79 2 6 2 24.482 48.963 0.269 9.16 8 64.4 34.0 80 2 7 0 24.591 49.182 0.27 9.06 4 246.4 246.6 81 3 1 1 24.594 49.187 0.27 9.06 8 44.9 16.4 82 2 0 4 24.618 49.235 0.27 9.04 4 30.0 3.6 83 0 6 4 24.625 49.249 0.27 9.04 4 86.5 30.3 84 1 8 2 24.641 49.283 0.271 9.02 8 35.3 10.1 85 1 7 3 24.698 49.396 0.271 8.98 8 18.2 2.7 86 1 0 5 24.724 49.449 0.271 8.95 4 133.0 71.0 87 0 3 5 24.726 49.452 0.272 8.95 4 68.0 18.6 88 2 1 4 24.771 49.543 0.272 8.91 8 99.7 79.3 89 1 1 5 24.878 49.756 0.273 8.83 8 40.2 12.8 90 3 2 1 25.053 50.107 0.275 8.69 8 37.1 10.7 91 2 7 1 25.062 50.124 0.275 8.68 8 160.6 200.6 92 2 5 3 25.151 50.302 0.276 8.61 8 102.6 81.2 93 2 2 4 25.229 50.458 0.277 8.55 8 153.7 181.1 94 1 2 5 25.334 50.668 0.278 8.47 8 52.6 21.0 95 3 3 1 25.806 51.612 0.283 8.12 8 128.5 120.1 96 1 9 1 25.82 51.64 0.283 8.11 8 32.3 7.6 97 3 0 2 25.839 51.678 0.283 8.1 4 58.8 12.5 98 2 3 4 25.978 51.956 0.284 8.0 8 127.8 117.1 99 1 6 4 25.983 51.966 0.284 8.0 8 41.3 12.2 100 3 1 2 25.988 51.975 0.284 7.99 8 114.5 93.8 101 1 3 5 26.081 52.162 0.285 7.93 8 156.2 173.3 102 3 2 2 26.43 52.859 0.289 7.69 8 146.6 148.1 103 2 7 2 26.438 52.876 0.289 7.69 8 99.4 68.1 104 2 6 3 26.783 53.566 0.293 7.46 8 97.6 63.8 105 2 8 0 26.832 53.665 0.293 7.43 4 157.2 82.3 106 3 4 1 26.835 53.67 0.293 7.43 8 72.2 34.7 107 0 10 0 26.839 53.678 0.293 7.43 2 116.0 22.4 108 1 8 3 26.933 53.866 0.294 7.37 8 175.3 203.0 109 2 4 4 27.002 54.004 0.295 7.33 8 27.8 5.1 110 1 4 5 27.102 54.204 0.296 7.26 8 26.2 4.5 111 0 5 5 27.104 54.208 0.296 7.26 4 170.4 94.4 112 3 3 2 27.155 54.311 0.296 7.23 8 71.8 33.4 113 1 9 2 27.168 54.337 0.296 7.22 8 38.6 9.6 114 2 8 1 27.276 54.551 0.297 7.16 8 118.8 90.6 115 1 7 4 27.864 55.728 0.303 6.82 8 203.9 254.0 116 3 0 3 28.061 56.121 0.305 6.71 4 139.7 58.7 117 0 9 3 28.075 56.15 0.305 6.7 4 204.6 125.7 118 3 5 1 28.119 56.238 0.306 6.68 8 60.7 22.0 119 3 4 2 28.15 56.299 0.306 6.66 8 209.4 262.0 120 3 1 3 28.201 56.402 0.307 6.64 8 28.6 4.9 121 2 5 4 28.281 56.562 0.308 6.59 8 33.2 6.5 122 0 0 6 28.353 56.705 0.308 6.56 2 16.5 0.4 123 1 5 5 28.378 56.756 0.309 6.54 8 17.2 1.7 124 1 10 1 28.551 57.102 0.31 6.45 8 38.5 8.6 125 2 8 2 28.577 57.154 0.31 6.44 8 96.4 53.6 126 0 10 2 28.583 57.166 0.311 6.44 4 23.4 1.6 127 3 2 3 28.62 57.24 0.311 6.42 8 24.6 3.5 128 2 7 3 28.628 57.255 0.311 6.42 8 114.8 75.8 129 2 0 5 28.652 57.303 0.311 6.4 4 141.6 57.5 130 0 8 4 28.705 57.41 0.312 6.38 4 121.5 42.2 131 2 1 5 28.79 57.58 0.313 6.33 8 30.9 5.4 132 0 2 6 28.908 57.816 0.314 6.28 4 134.8 51.1 133 2 2 5 29.203 58.407 0.317 6.13 8 142.5 111.5 134 2 9 0 29.226 58.453 0.317 6.12 4 183.0 91.8 135 3 3 3 29.309 58.618 0.318 6.08 8 42.1 9.7 136 1 9 3 29.321 58.643 0.318 6.08 8 60.8 20.1 137 3 5 2 29.396 58.791 0.319 6.04 8 39.1 8.3 138 1 0 6 29.591 59.183 0.321 5.95 4 24.7 1.6 139 3 6 1 29.638 59.276 0.321 5.93 8 72.5 27.9 140 2 9 1 29.646 59.291 0.321 5.93 8 48.8 12.7 141 1 1 6 29.727 59.454 0.322 5.89 8 147.3 114.6 142 2 6 4 29.795 59.59 0.323 5.86 8 120.9 76.7 143 1 10 2 29.816 59.631 0.323 5.85 8 85.1 38.0 144 2 3 5 29.884 59.768 0.323 5.82 8 2.8 0.0 145 1 6 5 29.889 59.777 0.323 5.82 8 184.5 177.5 146 1 8 4 29.935 59.869 0.324 5.8 8 62.2 20.1 147 1 2 6 30.132 60.264 0.326 5.72 8 29.6 4.5 148 0 11 1 30.192 60.384 0.326 5.69 4 112.9 32.5 149 3 4 3 30.257 60.514 0.327 5.66 8 17.9 1.6 150 0 7 5 30.428 60.856 0.329 5.59 4 49.7 6.2 151 0 4 6 30.536 61.071 0.33 5.55 4 229.3 130.7 152 2 8 3 30.666 61.331 0.331 5.5 8 158.9 124.5 153 1 3 6 30.8 61.601 0.332 5.44 8 27.5 3.7 154 2 4 5 30.822 61.643 0.333 5.44 8 132.7 85.8 155 3 6 2 30.875 61.75 0.333 5.42 8 227.0 250.0 156 2 9 2 30.883 61.765 0.333 5.41 8 47.6 11.0 157 3 0 4 30.992 61.983 0.334 5.37 4 167.8 67.8 158 3 1 4 31.124 62.247 0.336 5.32 8 15.2 1.1 159 3 7 1 31.374 62.748 0.338 5.23 8 18.1 1.5 160 1 11 1 31.386 62.772 0.338 5.22 8 92.1 39.7 161 3 5 3 31.451 62.902 0.339 5.2 8 43.8 8.9 162 3 2 4 31.518 63.036 0.339 5.17 8 156.3 113.2 163 2 7 4 31.526 63.051 0.339 5.17 8 206.8 198.3 164 1 7 5 31.617 63.233 0.34 5.14 8 135.4 84.5 165 1 4 6 31.722 63.444 0.341 5.1 8 76.7 26.9 166 2 10 0 31.765 63.529 0.342 5.09 4 91.1 18.9 167 1 10 3 31.855 63.71 0.343 5.06 8 18.8 1.6 168 2 5 5 32.003 64.006 0.344 5.01 8 95.3 40.7 169 2 10 1 32.164 64.328 0.346 4.95 8 188.3 157.2 170 3 3 4 32.17 64.339 0.346 4.95 8 158.5 111.4 171 1 9 4 32.181 64.363 0.346 4.94 8 77.1 26.3 172 3 7 2 32.573 65.145 0.349 4.82 8 180.0 139.9 173 1 11 2 32.584 65.169 0.35 4.81 8 241.4 251.4 174 4 0 0 32.782 65.563 0.351 4.75 2 73.9 5.8 175 0 12 0 32.805 65.61 0.352 4.74 2 209.7 46.8 176 3 6 3 32.877 65.753 0.352 4.72 8 34.1 4.9 177 2 9 3 32.884 65.768 0.352 4.72 8 89.1 33.6 178 1 5 6 32.885 65.771 0.352 4.72 8 94.8 38.0 179 4 1 0 32.91 65.82 0.353 4.71 4 98.0 20.3 180 3 4 4 33.07 66.14 0.354 4.66 8 8.3 0.3 181 2 0 6 33.137 66.274 0.355 4.64 4 114.8 27.4 182 0 6 6 33.143 66.285 0.355 4.64 4 257.0 137.4 183 4 0 1 33.175 66.35 0.355 4.63 4 5.1 0.1 184 2 1 6 33.264 66.528 0.356 4.61 8 86.9 31.1 185 4 2 0 33.293 66.586 0.356 4.6 4 153.9 48.8 186 4 1 1 33.302 66.604 0.356 4.59 8 4.8 0.1 187 3 8 1 33.312 66.625 0.356 4.59 8 61.7 15.7 188 2 10 2 33.347 66.695 0.357 4.58 8 47.9 9.4 189 0 11 3 33.4 66.8 0.357 4.57 4 133.1 36.3 190 2 6 5 33.416 66.832 0.357 4.56 8 83.4 28.4 191 2 8 4 33.459 66.919 0.358 4.55 8 26.1 2.8 192 0 10 4 33.465 66.93 0.358 4.55 4 278.2 157.7 193 1 8 5 33.547 67.095 0.359 4.52 8 98.0 38.9 194 2 2 6 33.645 67.29 0.36 4.5 8 143.5 82.9 195 4 2 1 33.683 67.366 0.36 4.49 8 154.9 96.5 196 0 1 7 33.771 67.543 0.361 4.46 4 109.7 24.0 197 4 3 0 33.926 67.852 0.362 4.42 4 40.2 3.2 198 3 5 4 34.21 68.419 0.365 4.34 8 61.3 14.6 199 2 3 6 34.275 68.551 0.366 4.33 8 147.1 83.9 200 1 6 6 34.28 68.559 0.366 4.32 8 98.5 37.6 201 4 3 1 34.313 68.625 0.366 4.32 8 145.6 81.9 202 1 12 1 34.334 68.668 0.366 4.31 8 63.9 15.8 203 4 0 2 34.34 68.681 0.366 4.31 4 163.9 51.9 204 0 12 2 34.363 68.726 0.366 4.3 4 109.7 23.2 205 2 11 0 34.446 68.892 0.367 4.28 4 46.6 4.2 206 4 1 2 34.466 68.931 0.367 4.28 8 21.8 1.8 207 3 8 2 34.475 68.951 0.367 4.27 8 55.4 11.8 208 3 7 3 34.521 69.043 0.368 4.26 8 7.5 0.2 209 1 11 3 34.533 69.065 0.368 4.26 8 53.3 10.9 210 3 0 5 34.543 69.086 0.368 4.26 4 112.8 24.3 211 0 9 5 34.556 69.112 0.368 4.25 4 154.2 45.3 212 1 10 4 34.597 69.194 0.369 4.24 8 74.5 21.1 213 3 1 5 34.668 69.336 0.369 4.23 8 54.6 11.3 214 1 0 7 34.774 69.548 0.37 4.2 4 82.1 12.7 215 0 3 7 34.775 69.551 0.37 4.2 4 70.5 9.3 216 4 4 0 34.804 69.607 0.37 4.19 4 119.9 27.0 217 2 11 1 34.83 69.659 0.371 4.19 8 113.2 48.1 218 4 2 2 34.84 69.68 0.371 4.18 8 42.0 6.6 219 1 1 7 34.898 69.797 0.371 4.17 8 37.9 5.4 220 3 2 5 35.041 70.083 0.373 4.13 8 105.2 41.0 221 2 7 5 35.048 70.097 0.373 4.13 8 30.4 3.4 222 2 4 6 35.149 70.297 0.374 4.11 8 10.5 0.4 223 4 4 1 35.186 70.371 0.374 4.1 8 85.8 27.0 224 1 2 7 35.271 70.542 0.375 4.08 8 215.0 169.0 225 2 10 3 35.275 70.55 0.375 4.08 8 143.3 75.1 226 3 9 1 35.443 70.886 0.376 4.04 8 8.5 0.3 227 4 3 2 35.46 70.921 0.377 4.04 8 48.6 8.6 228 1 12 2 35.481 70.963 0.377 4.03 8 23.1 1.9 229 3 6 4 35.579 71.158 0.378 4.01 8 77.9 21.8 230 2 9 4 35.586 71.172 0.378 4.01 8 119.0 50.9 231 3 3 5 35.66 71.32 0.378 3.99 8 87.8 27.6 232 1 9 5 35.671 71.343 0.379 3.99 8 54.9 10.8 233 1 3 7 35.888 71.776 0.381 3.94 8 5.2 0.1 234 1 7 6 35.894 71.788 0.381 3.94 8 93.5 30.9 235 4 5 0 35.917 71.834 0.381 3.94 4 84.6 12.6 236 2 11 2 35.97 71.94 0.381 3.93 8 64.0 14.4 237 4 0 3 36.243 72.487 0.384 3.87 4 77.6 10.4 238 2 5 6 36.258 72.515 0.384 3.87 8 28.0 2.7 239 4 5 1 36.294 72.588 0.384 3.86 8 73.4 18.6 240 0 13 1 36.316 72.633 0.384 3.85 4 35.0 2.1 241 4 4 2 36.321 72.642 0.384 3.85 8 30.7 3.3 242 4 1 3 36.366 72.732 0.385 3.84 8 161.2 89.5 243 3 8 3 36.376 72.751 0.385 3.84 8 69.3 16.6 244 3 4 5 36.519 73.038 0.386 3.81 8 148.6 75.5 245 3 9 2 36.575 73.15 0.387 3.8 8 55.2 10.4 246 0 8 6 36.63 73.26 0.387 3.79 4 9.8 0.2 247 4 2 3 36.732 73.464 0.388 3.77 8 0.3 0.0 248 1 4 7 36.745 73.489 0.388 3.77 8 32.6 3.6 249 0 5 7 36.746 73.492 0.388 3.77 4 44.7 3.4 250 2 8 5 36.891 73.783 0.39 3.74 8 75.0 18.9 251 3 7 4 37.169 74.338 0.392 3.69 8 4.8 0.1 252 1 11 4 37.18 74.36 0.392 3.69 8 47.9 7.6 253 4 6 0 37.259 74.519 0.393 3.67 4 50.9 4.3 254 2 12 0 37.276 74.552 0.393 3.67 4 47.7 3.7 255 4 3 3 37.339 74.679 0.394 3.66 8 65.3 14.0 256 1 12 3 37.36 74.72 0.394 3.65 8 115.9 44.0 257 1 13 1 37.41 74.82 0.394 3.64 8 99.3 32.2 258 4 5 2 37.416 74.832 0.394 3.64 8 48.3 7.6 259 2 6 6 37.595 75.191 0.396 3.61 8 94.6 29.0 260 3 5 5 37.612 75.224 0.396 3.61 8 43.1 6.0 261 4 6 1 37.631 75.262 0.396 3.61 8 160.3 83.0 262 2 12 1 37.648 75.295 0.396 3.6 8 59.9 11.6 263 1 8 6 37.72 75.44 0.397 3.59 8 36.5 4.3 264 3 10 1 37.762 75.523 0.398 3.58 8 149.5 71.8 265 1 5 7 37.835 75.67 0.398 3.57 8 44.5 6.3 266 2 11 3 37.839 75.678 0.398 3.57 8 10.8 0.4 267 2 10 4 37.901 75.802 0.399 3.56 8 126.2 50.8 268 1 10 5 37.985 75.969 0.399 3.55 8 57.2 10.4 269 2 0 7 38.072 76.144 0.4 3.53 4 121.6 23.4 270 4 4 3 38.184 76.367 0.401 3.51 8 89.6 25.3 271 2 1 7 38.192 76.384 0.401 3.51 8 24.6 1.9 272 3 9 3 38.433 76.867 0.403 3.47 8 98.1 30.0 273 1 13 2 38.52 77.041 0.404 3.46 8 181.2 101.8 274 2 2 7 38.552 77.104 0.405 3.46 8 57.2 10.1 275 3 0 6 38.671 77.341 0.406 3.44 4 54.3 4.5 276 4 6 2 38.739 77.479 0.406 3.43 8 140.3 60.4 277 2 12 2 38.756 77.511 0.406 3.43 8 30.6 2.9 278 3 1 6 38.79 77.58 0.407 3.42 8 21.8 1.5 279 4 7 0 38.824 77.648 0.407 3.42 4 54.3 4.5 280 4 0 4 38.845 77.689 0.407 3.41 4 218.6 73.1 281 0 12 4 38.866 77.733 0.407 3.41 4 15.5 0.4 282 3 10 2 38.868 77.737 0.407 3.41 8 32.2 3.2 283 3 6 5 38.933 77.866 0.408 3.4 8 39.8 4.8 284 2 9 5 38.94 77.879 0.408 3.4 8 56.7 9.8 285 4 1 4 38.964 77.928 0.408 3.39 8 15.4 0.7 286 3 8 4 38.974 77.947 0.408 3.39 8 22.9 1.6 287 3 2 6 39.148 78.297 0.41 3.37 8 63.5 12.2 288 2 3 7 39.15 78.299 0.41 3.37 8 12.9 0.5 289 1 6 7 39.154 78.307 0.41 3.37 8 152.2 69.9 290 2 7 6 39.155 78.311 0.41 3.37 8 43.8 5.8 291 4 7 1 39.191 78.382 0.41 3.36 8 100.1 30.2 292 0 14 0 39.204 78.408 0.41 3.36 2 206.1 32.0 293 4 5 3 39.261 78.521 0.411 3.35 8 37.2 4.1 294 0 13 3 39.282 78.565 0.411 3.35 4 18.4 0.5 295 0 0 8 39.286 78.572 0.411 3.35 2 87.3 5.7 296 4 2 4 39.322 78.644 0.411 3.34 8 7.3 0.2 297 0 11 5 39.422 78.844 0.412 3.33 4 20.6 0.6 298 0 7 7 39.631 79.263 0.414 3.3 4 150.8 33.6 299 3 3 6 39.744 79.487 0.415 3.29 8 131.8 51.2 300 1 9 6 39.754 79.509 0.415 3.29 8 99.6 29.2 301 0 2 8 39.762 79.524 0.415 3.29 4 53.8 4.3 302 4 3 4 39.916 79.832 0.417 3.27 8 99.5 29.0 303 1 12 4 39.936 79.873 0.417 3.26 8 3.8 0.0 304 2 4 7 39.982 79.964 0.417 3.26 8 163.9 78.4 305 2 13 0 40.268 80.535 0.42 3.22 4 29.5 1.3 306 3 11 1 40.269 80.539 0.42 3.22 8 109.4 34.5 307 4 7 2 40.286 80.572 0.42 3.22 8 37.8 4.1 308 1 13 3 40.35 80.699 0.42 3.21 8 122.9 43.5 309 1 0 8 40.353 80.707 0.42 3.21 4 202.7 59.1 310 2 11 4 40.406 80.813 0.421 3.21 8 7.9 0.2 311 1 1 8 40.472 80.943 0.421 3.2 8 3.4 0.0 312 3 7 5 40.478 80.955 0.421 3.2 8 32.4 3.0 313 1 11 5 40.488 80.977 0.421 3.2 8 117.0 39.2 314 4 6 3 40.566 81.132 0.422 3.19 8 38.6 4.2 315 3 4 6 40.573 81.146 0.422 3.19 8 150.6 64.7 316 2 12 3 40.582 81.164 0.422 3.18 8 43.8 5.5 317 4 8 0 40.606 81.212 0.422 3.18 4 20.9 0.6 318 2 13 1 40.631 81.262 0.423 3.18 8 12.1 0.4 319 1 14 1 40.635 81.27 0.423 3.18 8 77.3 17.0 320 0 14 2 40.662 81.325 0.423 3.18 4 88.2 11.1 321 3 10 3 40.694 81.387 0.423 3.17 8 7.3 0.2 322 1 7 7 40.696 81.393 0.423 3.17 8 39.2 4.4 323 4 4 4 40.745 81.49 0.424 3.17 8 62.7 11.2 324 1 2 8 40.826 81.652 0.424 3.16 8 45.6 5.9 325 2 8 6 40.934 81.868 0.425 3.15 8 17.8 0.9 326 0 10 6 40.939 81.879 0.425 3.14 4 66.2 6.2 327 4 8 1 40.969 81.938 0.426 3.14 8 41.5 4.8 328 3 9 4 40.99 81.98 0.426 3.14 8 43.2 5.3 329 2 5 7 41.046 82.093 0.426 3.13 8 13.9 0.5 330 0 4 8 41.181 82.363 0.427 3.12 4 35.6 1.8 331 2 10 5 41.193 82.385 0.428 3.12 8 53.1 7.9 332 3 11 2 41.358 82.716 0.429 3.1 8 30.4 2.6 333 1 3 8 41.416 82.831 0.429 3.09 8 133.1 49.1 334 3 5 6 41.634 83.268 0.431 3.07 8 16.1 0.7 335 2 13 2 41.718 83.435 0.432 3.06 8 119.3 39.1 336 1 14 2 41.722 83.443 0.432 3.06 8 109.9 33.2 337 4 5 4 41.805 83.61 0.433 3.06 8 26.7 1.9 338 1 10 6 41.997 83.994 0.434 3.04 8 37.9 3.9 339 4 8 2 42.054 84.108 0.435 3.03 8 37.3 3.8 340 4 7 3 42.097 84.194 0.435 3.03 8 151.0 61.9 341 4 0 5 42.117 84.235 0.435 3.03 4 164.1 36.5 342 4 1 5 42.235 84.469 0.436 3.02 8 5.1 0.1 343 1 4 8 42.238 84.476 0.436 3.02 8 23.2 1.5 344 3 8 5 42.244 84.488 0.436 3.02 8 18.7 0.9 345 2 6 7 42.34 84.68 0.437 3.01 8 124.2 41.6 346 1 8 7 42.461 84.922 0.438 3.0 8 27.7 2.1 347 4 2 5 42.586 85.173 0.439 2.99 8 107.3 30.8 348 4 9 0 42.606 85.212 0.439 2.99 4 132.9 23.6 349 1 13 4 42.881 85.761 0.442 2.96 8 29.6 2.3 350 3 6 6 42.925 85.849 0.442 2.96 8 64.7 11.1 351 2 9 6 42.931 85.862 0.442 2.96 8 19.5 1.0 352 5 0 1 42.954 85.908 0.442 2.96 4 41.5 2.3 353 4 9 1 42.966 85.932 0.442 2.96 8 123.8 40.6 354 3 12 1 42.975 85.951 0.442 2.96 8 23.5 1.5 355 0 15 1 42.987 85.975 0.443 2.95 4 221.9 65.2 356 5 1 1 43.071 86.142 0.443 2.95 8 48.6 6.2 357 4 6 4 43.095 86.19 0.443 2.95 8 76.7 15.5 358 2 12 4 43.111 86.222 0.444 2.95 8 0.8 0.0 359 3 11 3 43.161 86.322 0.444 2.94 8 120.7 38.4 360 4 3 5 43.172 86.344 0.444 2.94 8 83.6 18.4 361 1 12 5 43.192 86.384 0.444 2.94 8 71.1 13.3 362 3 10 4 43.221 86.442 0.445 2.94 8 109.8 31.7 363 1 5 8 43.293 86.585 0.445 2.93 8 133.3 46.7 364 3 0 7 43.387 86.774 0.446 2.93 4 89.4 10.5 365 0 9 7 43.399 86.798 0.446 2.92 4 7.4 0.1 366 5 2 1 43.422 86.844 0.446 2.92 8 62.8 10.3 367 2 14 0 43.442 86.883 0.446 2.92 4 23.2 0.7 368 3 1 7 43.504 87.008 0.447 2.92 8 20.4 1.1 369 2 13 3 43.519 87.038 0.447 2.92 8 99.5 25.9 370 2 0 8 43.522 87.045 0.447 2.92 4 16.3 0.3 371 1 14 3 43.523 87.046 0.447 2.92 8 69.2 12.5 372 0 6 8 43.528 87.056 0.447 2.92 4 0.9 0.0 373 2 1 8 43.639 87.279 0.448 2.91 8 15.9 0.7 374 2 11 5 43.656 87.312 0.448 2.91 8 45.2 5.3 375 2 14 1 43.801 87.602 0.449 2.9 8 41.5 4.5 376 4 8 3 43.854 87.707 0.45 2.89 8 44.6 5.2 377 3 2 7 43.855 87.71 0.45 2.89 8 79.5 16.4 378 2 7 7 43.862 87.723 0.45 2.89 8 18.5 0.9 379 2 2 8 43.99 87.98 0.451 2.88 8 19.6 1.0 380 4 4 5 43.991 87.981 0.451 2.88 8 134.1 46.5 381 5 3 1 44.007 88.014 0.451 2.88 8 116.0 34.8 382 5 0 2 44.032 88.065 0.451 2.88 4 199.5 51.4 383 1 15 1 44.039 88.077 0.451 2.88 8 1.6 0.0 384 4 9 2 44.044 88.089 0.451 2.88 8 61.3 9.7 385 3 12 2 44.054 88.108 0.451 2.88 8 47.3 5.8 386 5 1 2 44.149 88.299 0.452 2.88 8 44.7 5.2 387 3 9 5 44.234 88.467 0.453 2.87 8 33.2 2.8 388 3 3 7 44.439 88.878 0.454 2.86 8 24.2 1.5 389 3 7 6 44.445 88.889 0.455 2.86 8 30.4 2.4 390 1 9 7 44.45 88.9 0.455 2.86 8 49.1 6.2 391 1 11 6 44.455 88.911 0.455 2.86 8 8.5 0.2 392 5 2 2 44.5 89.0 0.455 2.85 8 158.4 64.2 393 2 3 8 44.574 89.148 0.456 2.85 8 39.8 4.1 394 1 6 8 44.578 89.156 0.456 2.85 8 26.5 1.8 395 4 7 4 44.615 89.229 0.456 2.85 8 43.9 4.9 396 5 4 1 44.825 89.649 0.458 2.84 8 70.7 12.7 397 4 10 0 44.828 89.656 0.458 2.84 4 202.7 52.2 398 2 14 2 44.878 89.756 0.458 2.83 8 57.5 8.4 399 0 14 4 44.986 89.972 0.459 2.83 4 18.3 0.4 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 5.181 10.361 8.5305 1718.5 45.7 45.7 5.6 2 0 1 1 5.228 10.456 8.4534 3758.8 100.0 100.0 5.6 3 0 0 2 9.108 18.216 4.866 240.4 6.4 6.4 5.6 4 1 1 1 9.391 18.782 4.72064 653.8 17.4 17.3 5.6 5 1 2 1 10.425 20.849 4.25702 261.9 7.0 6.9 5.6 6 0 2 2 10.5 21.001 4.2267 55.9 1.5 1.5 5.6 7 1 3 1 11.958 23.917 3.71754 1102.7 29.3 29.1 5.6 8 1 0 2 12.022 24.043 3.69828 157.1 4.2 4.1 5.6 9 1 1 2 12.305 24.61 3.61434 105.8 2.8 2.8 5.6 10 1 4 1 13.837 27.675 3.22067 2008.0 53.4 52.8 5.6 11 0 4 2 13.895 27.791 3.20748 597.0 15.9 15.7 5.6 12 1 3 2 14.386 28.771 3.10037 1137.7 30.3 29.9 5.6 13 2 0 0 15.707 31.414 2.8453 214.0 5.7 5.6 5.6 14 0 3 3 15.864 31.729 2.8178 1076.4 28.6 28.2 5.6 15 2 1 0 15.93 31.86 2.80654 76.6 2.0 2.0 5.6 16 1 4 2 16.002 32.004 2.79419 1249.2 33.2 32.7 5.6 17 1 1 3 16.083 32.165 2.78056 177.9 4.7 4.7 5.6 18 2 0 1 16.383 32.766 2.73097 588.4 15.7 15.4 5.6 19 2 1 1 16.597 33.195 2.69665 195.1 5.2 5.1 5.6 20 2 2 1 17.227 34.454 2.60094 343.9 9.1 9.0 5.7 21 2 3 0 17.621 35.241 2.54459 73.5 2.0 1.9 5.7 22 1 6 1 18.24 36.48 2.46096 164.4 4.4 4.3 5.7 23 2 1 2 18.472 36.944 2.43115 111.0 3.0 2.9 5.7 24 2 4 0 18.992 37.983 2.36697 536.7 14.3 14.0 5.7 25 1 4 3 19.123 38.246 2.35132 404.0 10.7 10.5 5.7 26 0 2 4 19.222 38.443 2.3397 491.2 13.1 12.8 5.7 27 1 6 2 19.981 39.962 2.25422 275.8 7.3 7.2 5.7 28 1 0 4 20.14 40.281 2.23711 83.9 2.2 2.2 5.7 29 2 5 0 20.64 41.279 2.18525 179.7 4.8 4.7 5.7 30 1 2 4 20.852 41.705 2.16393 132.3 3.5 3.4 5.7 31 2 0 3 21.106 42.212 2.13908 278.1 7.4 7.2 5.7 32 0 8 0 21.173 42.346 2.13263 463.1 12.3 12.0 5.7 33 2 4 2 21.216 42.432 2.12851 388.6 10.3 10.1 5.7 34 2 1 3 21.279 42.559 2.12247 128.2 3.4 3.3 5.7 35 1 6 3 22.633 45.265 2.00167 207.6 5.5 5.4 5.7 36 0 7 3 23.285 46.569 1.94859 208.6 5.6 5.4 5.7 37 2 7 0 24.591 49.182 1.85102 266.7 7.1 6.9 5.7 38 0 6 4 24.625 49.249 1.84865 40.4 1.1 1.0 5.7 39 0 3 5 24.726 49.452 1.84153 92.2 2.5 2.4 5.7 40 2 1 4 24.771 49.543 1.83838 79.3 2.1 2.0 5.7 41 2 7 1 25.062 50.124 1.81842 211.3 5.6 5.4 5.7 42 2 5 3 25.151 50.302 1.8124 81.2 2.2 2.1 5.8 43 2 2 4 25.229 50.458 1.80717 181.1 4.8 4.7 5.8 44 3 3 1 25.806 51.612 1.76942 127.7 3.4 3.3 5.8 45 2 3 4 25.978 51.956 1.75852 223.2 5.9 5.7 5.8 46 1 3 5 26.081 52.162 1.75207 173.3 4.6 4.4 5.8 47 3 2 2 26.43 52.859 1.73058 216.2 5.8 5.5 5.8 48 2 6 3 26.783 53.566 1.7094 63.8 1.7 1.6 5.8 49 2 8 0 26.832 53.665 1.70649 139.4 3.7 3.6 5.8 50 1 8 3 26.933 53.866 1.7006 203.0 5.4 5.2 5.8 51 0 5 5 27.104 54.208 1.69068 98.9 2.6 2.5 5.8 52 3 3 2 27.155 54.311 1.68771 43.1 1.1 1.1 5.8 53 2 8 1 27.276 54.551 1.68084 90.6 2.4 2.3 5.8 54 1 7 4 27.864 55.728 1.64811 254.0 6.8 6.5 5.8 55 0 9 3 28.075 56.15 1.6367 184.4 4.9 4.7 5.8 56 3 4 2 28.15 56.299 1.63272 262.0 7.0 6.7 5.8 57 2 8 2 28.577 57.154 1.61033 63.8 1.7 1.6 5.8 58 2 7 3 28.628 57.255 1.60771 136.8 3.6 3.5 5.8 59 0 8 4 28.705 57.41 1.60374 42.2 1.1 1.1 5.8 60 0 2 6 28.908 57.816 1.59345 51.1 1.4 1.3 5.8 61 2 2 5 29.203 58.407 1.57873 203.4 5.4 5.2 5.8 62 3 6 1 29.638 59.276 1.55764 40.6 1.1 1.0 5.8 63 1 1 6 29.727 59.454 1.55339 114.6 3.0 2.9 5.8 64 2 6 4 29.795 59.59 1.55019 114.7 3.1 2.9 5.8 65 1 6 5 29.889 59.777 1.54576 177.5 4.7 4.5 5.8 66 0 4 6 30.536 61.071 1.51608 130.7 3.5 3.3 5.8 67 2 8 3 30.666 61.331 1.51027 124.5 3.3 3.2 5.8 68 2 4 5 30.822 61.643 1.50338 89.5 2.4 2.3 5.8 69 3 6 2 30.875 61.75 1.50103 261.0 6.9 6.6 5.8 70 3 0 4 30.992 61.983 1.49594 67.8 1.8 1.7 5.8 71 1 11 1 31.386 62.772 1.47903 41.2 1.1 1.0 5.9 72 2 7 4 31.526 63.051 1.47315 311.5 8.3 7.9 5.9 73 1 7 5 31.617 63.233 1.46935 84.5 2.2 2.1 5.9 74 2 5 5 32.003 64.006 1.45345 40.7 1.1 1.0 5.9 75 2 10 1 32.164 64.328 1.44695 294.9 7.8 7.4 5.9 76 1 11 2 32.584 65.169 1.43031 391.3 10.4 9.9 5.9 77 0 12 0 32.805 65.61 1.42175 52.6 1.4 1.3 5.9 78 1 5 6 32.885 65.771 1.41866 96.8 2.6 2.4 5.9 79 0 6 6 33.143 66.285 1.4089 164.8 4.4 4.1 5.9 80 4 2 0 33.293 66.586 1.40327 95.6 2.5 2.4 5.9 81 0 11 3 33.4 66.8 1.39929 64.7 1.7 1.6 5.9 82 0 10 4 33.465 66.93 1.39688 160.5 4.3 4.0 5.9 83 1 8 5 33.547 67.095 1.39386 38.9 1.0 1.0 5.9 84 2 2 6 33.645 67.29 1.39028 82.9 2.2 2.1 5.9 85 4 2 1 33.683 67.366 1.38891 96.5 2.6 2.4 5.9 86 2 3 6 34.275 68.551 1.36776 121.5 3.2 3.0 5.9 87 4 3 1 34.313 68.625 1.36645 149.6 4.0 3.7 5.9 88 0 9 5 34.556 69.112 1.35802 80.4 2.1 2.0 5.9 89 2 11 1 34.83 69.659 1.34867 81.7 2.2 2.0 5.9 90 3 2 5 35.041 70.083 1.34156 44.4 1.2 1.1 5.9 91 1 2 7 35.271 70.542 1.33395 244.1 6.5 6.1 5.9 92 2 9 4 35.586 71.172 1.32368 72.7 1.9 1.8 5.9 93 3 3 5 35.66 71.32 1.32129 38.4 1.0 1.0 5.9 94 1 7 6 35.894 71.788 1.31383 43.5 1.2 1.1 5.9 95 4 1 3 36.366 72.732 1.29909 106.1 2.8 2.6 6.0 96 3 4 5 36.519 73.038 1.2944 75.5 2.0 1.9 6.0 97 1 12 3 37.36 74.72 1.26937 58.0 1.5 1.4 6.0 98 1 13 1 37.41 74.82 1.26792 39.8 1.1 1.0 6.0 99 4 6 1 37.631 75.262 1.26156 94.6 2.5 2.3 6.0 100 3 10 1 37.762 75.523 1.25785 71.8 1.9 1.8 6.0 101 2 10 4 37.901 75.802 1.25392 50.8 1.4 1.3 6.0 102 1 13 2 38.52 77.041 1.23682 101.8 2.7 2.5 6.0 103 4 6 2 38.739 77.479 1.23092 63.3 1.7 1.6 6.0 104 4 0 4 38.845 77.689 1.22811 80.7 2.1 2.0 6.0 105 1 6 7 39.154 78.307 1.21995 88.4 2.4 2.2 6.0 106 0 14 0 39.204 78.408 1.21864 62.1 1.7 1.5 6.0 107 3 3 6 39.744 79.487 1.20478 84.7 2.3 2.1 6.0 108 2 4 7 39.982 79.964 1.19879 78.4 2.1 1.9 6.0 109 4 7 2 40.286 80.572 1.19127 39.9 1.1 1.0 6.1 110 1 0 8 40.353 80.707 1.18962 102.6 2.7 2.5 6.1 111 1 11 5 40.488 80.977 1.18633 42.2 1.1 1.0 6.1 112 2 12 3 40.582 81.164 1.18407 74.5 2.0 1.8 6.1 113 1 3 8 41.416 82.831 1.16442 49.1 1.3 1.2 6.1 114 2 13 2 41.718 83.435 1.15752 72.3 1.9 1.8 6.1 115 4 7 3 42.097 84.194 1.14901 98.4 2.6 2.4 6.1 116 2 6 7 42.34 84.68 1.14365 41.6 1.1 1.0 6.1 117 4 2 5 42.586 85.173 1.13828 54.4 1.4 1.3 6.1 118 0 15 1 42.987 85.975 1.12971 107.2 2.9 2.6 6.1 119 3 11 3 43.161 86.322 1.12605 56.9 1.5 1.4 6.1 120 3 10 4 43.221 86.442 1.1248 45.1 1.2 1.1 6.1 121 1 5 8 43.293 86.585 1.12331 46.7 1.2 1.1 6.1 122 1 14 3 43.523 87.046 1.11855 39.9 1.1 1.0 6.1 123 4 4 5 43.991 87.981 1.10905 81.3 2.2 2.0 6.2 124 5 0 2 44.032 88.065 1.10821 66.9 1.8 1.6 6.2 125 5 2 2 44.5 89.0 1.09898 64.2 1.7 1.5 6.2 126 4 10 0 44.828 89.656 1.09263 64.9 1.7 1.6 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) |