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 *** *********************** RIBBEITE 1, DN Mn(5)(OH)(2)[SiO(4)](2) Orthorhombic P nma Z = 4 R =0.037 NR =1131 27 .9 .1994 Ref.Str.: Freed R.L., Rouse R.C., Peacor D.R. (1993) * Amer. Mineral., 78, 190-194 Reserv: D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.732 alpha = 90.0 b = 15.672 beta = 90.0 c = 4.811 gamma = 90.0 Unit cell volume (cub. angs.) = 809.17 Molar volume ( cub.cm/mol.) = 121.85 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.8685 0.145 0.4933 1.11 Mn = 1.00 2 0.5912 0.25 0.5145 1.11 Mn = 1.00 3 0.644 0.0613 0.9959 1.24 Mn = 1.00 4 0.7779 0.25 0.0712 0.55 Si = 1.00 5 0.4613 0.0448 0.5835 0.65 Si = 0.5 , Si = 0.0 6 0.4616 0.0432 0.2672 1.22 O = 1.00 7 0.7778 0.25 0.7381 0.73 O = 1.00 8 0.9179 0.25 0.2125 0.78 O = 1.00 9 0.7101 0.1681 0.2123 0.75 O = 1.00 10 0.5286 0.1373 0.7311 1.58 O = 1.00 11 0.3109 0.0439 0.7344 1.37 O = 1.00 12 0.555 0.126 0.569 1.7 H = 0.5 , H = 0.0 13 0.345 0.34 0.6 2.0 H = 0.5 , H = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.8685 0.145 0.4933 2 2 0.5912 0.25 0.5145 3 3 0.644 0.0613 0.9959 4 4 0.7779 0.25 0.0712 5 5 0.4613 0.0448 0.5835 6 6 0.4616 0.0432 0.2672 7 7 0.7778 0.25 0.7381 8 8 0.9179 0.25 0.2125 9 9 0.7101 0.1681 0.2123 10 10 0.5286 0.1373 0.7311 11 11 0.3109 0.0439 0.7344 12 12 0.555 0.126 0.569 13 13 0.345 0.34 0.6 14 1 0.6315 0.855 0.9933 15 2 0.9088 0.75 0.0145 16 3 0.856 0.9387 0.4959 17 4 0.7221 0.75 0.5712 18 5 0.0387 0.9552 0.0835 19 6 0.0384 0.9568 0.7672 20 7 0.7222 0.75 0.2381 21 8 0.5821 0.75 0.7125 22 9 0.7899 0.8319 0.7123 23 10 0.9714 0.8627 0.2311 24 11 0.1891 0.9561 0.2344 25 12 0.945 0.874 0.069 26 13 0.155 0.66 0.1 27 1 0.6315 0.645 0.9933 28 3 0.856 0.5613 0.4959 29 5 0.0387 0.5448 0.0835 30 6 0.0384 0.5432 0.7672 31 9 0.7899 0.6681 0.7123 32 10 0.9714 0.6373 0.2311 33 11 0.1891 0.5439 0.2344 34 12 0.945 0.626 0.069 35 13 0.155 0.84 0.1 36 1 0.8685 0.355 0.4933 37 3 0.644 0.4387 0.9959 38 5 0.4613 0.4552 0.5835 39 6 0.4616 0.4568 0.2672 40 9 0.7101 0.3319 0.2123 41 10 0.5286 0.3627 0.7311 42 11 0.3109 0.4561 0.7344 43 12 0.555 0.374 0.569 44 13 0.345 0.16 0.6 45 1 0.3685 0.145 0.0067 46 2 0.0912 0.25 0.9855 47 3 0.144 0.0613 0.5041 48 4 0.2779 0.25 0.4288 49 5 0.9613 0.0448 0.9165 50 6 0.9616 0.0432 0.2328 51 7 0.2778 0.25 0.7619 52 8 0.4179 0.25 0.2875 53 9 0.2101 0.1681 0.2877 54 10 0.0286 0.1373 0.7689 55 11 0.8109 0.0439 0.7656 56 12 0.055 0.126 0.931 57 13 0.845 0.34 0.9 58 1 0.1315 0.855 0.5067 59 2 0.4088 0.75 0.4855 60 3 0.356 0.9387 0.0041 61 4 0.2221 0.75 0.9288 62 5 0.5387 0.9552 0.4165 63 6 0.5384 0.9568 0.7328 64 7 0.2222 0.75 0.2619 65 8 0.0821 0.75 0.7875 66 9 0.2899 0.8319 0.7877 67 10 0.4714 0.8627 0.2689 68 11 0.6891 0.9561 0.2656 69 12 0.445 0.874 0.431 70 13 0.655 0.66 0.4 71 1 0.1315 0.645 0.5067 72 3 0.356 0.5613 0.0041 73 5 0.5387 0.5448 0.4165 74 6 0.5384 0.5432 0.7328 75 9 0.2899 0.6681 0.7877 76 10 0.4714 0.6373 0.2689 77 11 0.6891 0.5439 0.2656 78 12 0.445 0.626 0.431 79 13 0.655 0.84 0.4 80 1 0.3685 0.355 0.0067 81 3 0.144 0.4387 0.5041 82 5 0.9613 0.4552 0.9165 83 6 0.9616 0.4568 0.2328 84 9 0.2101 0.3319 0.2877 85 10 0.0286 0.3627 0.7689 86 11 0.8109 0.4561 0.7656 87 12 0.055 0.374 0.931 88 13 0.845 0.16 0.9 X-ray density (g/cm cub.) = 4.04 MU (1/cm) = 685.453 Mass attenuation coefficient (cm**2/g) = 169.48 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn 2.724 6 2.2455 7 2.1941 8 2.2019 9 2.2615 6 2.1737 10 2.1468 11 2 Mn 2.724 6 2.2732 7 2.3215 9 2.158 10 2.3215 9 2.158 10 2.1568 8 3 Mn 2.724 6 2.3698 6 2.0949 9 2.139 10 2.1237 11 2.3598 6 2.1531 11 4 Si 2.1 4 1.6025 7 1.6491 8 1.6241 9 1.6241 9 5 Si ,Si 2.1 4 1.5219 6 1.7685 10 1.7699 11 1.7614 6 6 O 3.264 9 2.77 10 3.0568 10 2.7691 11 3.0309 11 3.2312 11 2.7442 6 3.0204 6 2.8308 10 2.7972 11 7 O 3.264 12 2.7331 8 2.9419 8 2.7166 9 2.9282 9 3.2052 10 2.7166 9 2.9282 9 3.2052 10 3.2228 10 3.2522 11 3.2228 10 3.2522 11 8 O 3.264 6 2.9419 7 2.7331 7 2.5731 9 2.5731 9 3.0142 10 3.0142 10 9 O 3.264 7 2.9282 7 2.7166 7 2.5731 8 3.2026 10 3.0638 10 2.5671 9 3.0948 11 10 O 3.264 9 3.0568 6 2.77 6 3.2052 7 3.0638 9 3.2026 9 2.7571 11 3.2228 7 3.0142 8 2.8308 6 11 O 3.264 9 3.0309 6 2.7691 6 2.7571 10 3.2312 6 3.0641 11 3.0641 11 3.2522 7 3.0948 9 2.7972 6 12 H ,H 1.632 1 0.8484 10 13 H ,H 1.632 0 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 5.641 11.283 0.064 204.0 2 13.6 11.5 2 2 0 0 8.253 16.506 0.093 94.12 2 21.0 12.6 3 2 1 0 8.727 17.454 0.098 83.94 4 32.0 52.7 4 0 1 1 9.641 19.283 0.109 68.38 4 12.5 6.5 5 2 2 0 10.019 20.039 0.113 63.16 4 58.0 129.7 6 1 0 1 10.105 20.211 0.114 62.05 4 80.9 248.3 7 1 1 1 10.499 20.997 0.118 57.33 8 35.1 86.4 8 0 4 0 11.338 22.676 0.128 48.85 2 30.8 14.1 9 1 2 1 11.602 23.205 0.131 46.56 8 87.3 433.9 10 2 3 0 11.875 23.751 0.134 44.35 4 2.8 0.2 11 2 0 1 12.418 24.835 0.14 40.38 4 7.6 1.4 12 0 3 1 12.572 25.143 0.141 39.35 4 58.8 83.0 13 2 1 1 12.743 25.486 0.143 38.24 8 41.9 81.9 14 1 3 1 13.249 26.499 0.149 35.22 8 80.2 277.0 15 2 2 1 13.676 27.353 0.153 32.93 8 32.2 41.6 16 2 4 0 14.089 28.178 0.158 30.92 4 12.8 3.1 17 2 3 1 15.114 30.227 0.169 26.61 8 5.1 0.9 18 1 4 1 15.278 30.557 0.171 26.0 8 172.5 944.8 19 3 0 1 15.565 31.129 0.174 24.98 4 263.3 1057.8 20 3 1 1 15.83 31.661 0.177 24.09 8 150.9 669.8 21 2 5 0 16.535 33.07 0.185 21.92 4 200.4 537.6 22 3 2 1 16.605 33.209 0.185 21.72 8 112.2 334.1 23 4 0 0 16.684 33.368 0.186 21.5 2 177.0 205.8 24 4 1 0 16.934 33.868 0.189 20.82 4 53.2 36.0 25 2 4 1 16.94 33.879 0.189 20.8 8 5.1 0.7 26 0 5 1 17.056 34.112 0.19 20.49 4 14.0 2.5 27 0 6 0 17.152 34.303 0.191 20.25 2 99.1 60.7 28 1 5 1 17.575 35.151 0.196 19.2 8 210.2 1036.6 29 4 2 0 17.665 35.331 0.197 18.98 4 20.1 4.7 30 3 3 1 17.829 35.657 0.199 18.6 8 128.2 373.3 31 0 0 2 18.676 37.352 0.208 16.8 2 189.6 184.4 32 4 3 0 18.829 37.658 0.21 16.5 4 121.8 149.6 33 2 5 1 19.059 38.119 0.212 16.06 8 127.2 317.5 34 2 6 0 19.146 38.293 0.213 15.9 4 6.2 0.4 35 1 0 2 19.157 38.314 0.213 15.88 4 35.8 12.4 36 4 0 1 19.191 38.383 0.213 15.82 4 144.6 202.0 37 1 1 2 19.379 38.759 0.215 15.48 8 21.4 8.6 38 4 1 1 19.413 38.826 0.216 15.42 8 12.7 3.0 39 3 4 1 19.429 38.858 0.216 15.39 8 113.4 242.1 40 0 2 2 19.57 39.141 0.217 15.15 4 15.3 2.2 41 1 2 2 20.033 40.067 0.222 14.38 8 64.4 72.8 42 4 2 1 20.066 40.132 0.223 14.33 8 1.3 0.0 43 1 6 1 20.069 40.138 0.223 14.33 8 76.2 101.5 44 4 4 0 20.363 40.725 0.226 13.87 4 84.6 60.6 45 2 0 2 20.544 41.087 0.228 13.6 4 20.4 3.5 46 2 1 2 20.753 41.507 0.23 13.29 8 2.3 0.1 47 1 3 2 21.086 42.172 0.234 12.83 8 26.8 11.3 48 4 3 1 21.117 42.235 0.234 12.79 8 0.3 0.0 49 3 5 1 21.337 42.674 0.236 12.49 8 72.8 81.0 50 2 2 2 21.372 42.745 0.237 12.45 8 36.0 19.8 51 2 6 1 21.406 42.812 0.237 12.4 8 29.8 13.4 52 2 7 0 21.888 43.776 0.242 11.8 4 25.9 4.8 53 0 4 2 22.071 44.142 0.244 11.58 4 35.8 9.1 54 4 5 0 22.204 44.409 0.245 11.42 4 28.4 5.6 55 0 7 1 22.302 44.603 0.246 11.31 4 15.5 1.7 56 2 3 2 22.373 44.747 0.247 11.23 8 10.2 1.4 57 1 4 2 22.491 44.983 0.248 11.1 8 33.0 14.8 58 4 4 1 22.521 45.043 0.249 11.06 8 9.3 1.2 59 3 0 2 22.698 45.397 0.25 10.87 4 35.3 8.3 60 1 7 1 22.719 45.438 0.251 10.85 8 54.9 39.9 61 3 1 2 22.892 45.784 0.253 10.66 8 6.5 0.6 62 5 0 1 23.139 46.278 0.255 10.41 4 60.8 23.5 63 0 8 0 23.154 46.308 0.255 10.39 2 23.4 1.7 64 5 1 1 23.33 46.66 0.257 10.21 8 47.4 28.1 65 3 2 2 23.466 46.932 0.258 10.08 8 1.7 0.0 66 3 6 1 23.497 46.994 0.259 10.05 8 19.2 4.5 67 2 4 2 23.718 47.436 0.261 9.84 8 39.9 19.1 68 5 2 1 23.896 47.792 0.263 9.67 8 54.8 35.5 69 2 7 1 23.936 47.873 0.263 9.64 8 9.5 1.1 70 1 5 2 24.204 48.407 0.266 9.4 8 1.3 0.0 71 4 5 1 24.232 48.464 0.266 9.37 8 15.8 2.9 72 4 6 0 24.304 48.607 0.267 9.31 4 24.1 3.3 73 3 3 2 24.399 48.798 0.268 9.23 8 1.2 0.0 74 2 8 0 24.745 49.49 0.272 8.94 4 29.4 4.7 75 5 3 1 24.817 49.634 0.272 8.88 8 51.8 29.1 76 2 5 2 25.367 50.734 0.278 8.45 8 334.9 1157.1 77 4 0 2 25.472 50.944 0.279 8.37 4 294.6 443.4 78 1 8 1 25.504 51.008 0.279 8.34 8 71.3 51.8 79 6 0 0 25.508 51.017 0.28 8.34 2 48.8 6.1 80 4 1 2 25.65 51.3 0.281 8.23 8 56.0 31.6 81 3 4 2 25.663 51.326 0.281 8.23 8 5.6 0.3 82 6 1 0 25.686 51.372 0.281 8.21 4 22.2 2.5 83 0 6 2 25.806 51.611 0.283 8.12 4 85.0 35.9 84 3 7 1 25.869 51.738 0.283 8.08 8 106.6 112.2 85 5 4 1 26.066 52.132 0.285 7.94 8 83.8 68.1 86 4 2 2 26.178 52.356 0.286 7.86 8 13.9 1.8 87 1 6 2 26.18 52.361 0.286 7.86 8 23.6 5.4 88 4 6 1 26.207 52.414 0.287 7.84 8 14.8 2.1 89 6 2 0 26.214 52.428 0.287 7.84 4 164.5 129.6 90 4 7 0 26.622 53.244 0.291 7.57 4 130.1 78.2 91 2 8 1 26.626 53.251 0.291 7.56 8 43.7 17.7 92 4 3 2 27.042 54.085 0.295 7.3 8 120.2 128.8 93 6 3 0 27.077 54.154 0.295 7.28 4 23.0 2.4 94 3 5 2 27.225 54.45 0.297 7.19 8 38.6 13.1 95 2 6 2 27.283 54.565 0.298 7.16 8 10.9 1.0 96 6 0 1 27.351 54.703 0.298 7.11 4 21.5 2.0 97 6 1 1 27.521 55.041 0.3 7.02 8 26.3 5.9 98 5 5 1 27.612 55.224 0.301 6.96 8 157.6 211.4 99 2 9 0 27.714 55.428 0.302 6.9 4 137.3 79.5 100 6 2 1 28.024 56.048 0.305 6.73 8 5.8 0.3 101 0 9 1 28.063 56.125 0.305 6.71 4 25.1 2.6 102 4 4 2 28.221 56.443 0.307 6.63 8 87.9 62.5 103 6 4 0 28.255 56.51 0.307 6.61 4 111.5 50.2 104 1 7 2 28.389 56.778 0.309 6.54 8 23.6 4.4 105 4 7 1 28.414 56.829 0.309 6.52 8 30.7 7.5 106 1 9 1 28.417 56.833 0.309 6.52 8 97.5 75.7 107 3 8 1 28.426 56.853 0.309 6.52 8 85.6 58.4 108 5 0 2 28.748 57.497 0.312 6.35 4 29.4 3.3 109 6 3 1 28.85 57.701 0.313 6.3 8 11.0 0.9 110 0 1 3 28.871 57.741 0.313 6.29 4 16.9 1.1 111 5 1 2 28.912 57.824 0.314 6.27 8 10.2 0.8 112 1 0 3 29.056 58.111 0.315 6.2 4 115.9 50.9 113 3 6 2 29.056 58.112 0.315 6.2 8 2.0 0.0 114 4 8 0 29.134 58.269 0.316 6.17 4 17.4 1.1 115 1 1 3 29.218 58.437 0.317 6.13 8 70.1 36.7 116 5 2 2 29.4 58.8 0.319 6.04 8 39.6 11.6 117 5 6 1 29.427 58.854 0.319 6.03 8 52.2 20.0 118 2 7 2 29.435 58.871 0.319 6.02 8 9.7 0.7 119 0 10 0 29.439 58.879 0.319 6.02 2 403.3 299.3 120 2 9 1 29.462 58.924 0.319 6.01 8 2.4 0.0 121 4 5 2 29.692 59.384 0.322 5.91 8 28.1 5.7 122 1 2 3 29.703 59.406 0.322 5.9 8 75.0 40.6 123 6 5 0 29.725 59.449 0.322 5.89 4 351.5 445.0 124 6 4 1 29.983 59.966 0.324 5.78 8 10.0 0.7 125 2 0 3 30.087 60.174 0.325 5.74 4 32.3 3.6 126 0 3 3 30.162 60.324 0.326 5.7 4 31.6 3.5 127 5 3 2 30.203 60.405 0.327 5.69 8 33.3 7.7 128 2 1 3 30.246 60.493 0.327 5.67 8 37.8 9.9 129 0 8 2 30.471 60.941 0.329 5.58 4 12.0 0.5 130 1 3 3 30.501 61.001 0.329 5.56 8 58.7 23.4 131 2 2 3 30.721 61.443 0.332 5.48 8 27.1 4.9 132 2 10 0 30.799 61.599 0.332 5.45 4 4.3 0.1 133 1 8 2 30.807 61.614 0.332 5.44 8 34.7 8.0 134 4 8 1 30.831 61.662 0.333 5.43 8 2.0 0.0 135 3 7 2 31.13 62.26 0.336 5.32 8 9.9 0.6 136 3 9 1 31.156 62.312 0.336 5.31 8 131.9 112.8 137 5 4 2 31.305 62.61 0.337 5.25 8 1.5 0.0 138 6 5 1 31.402 62.804 0.338 5.22 8 13.6 1.2 139 4 6 2 31.431 62.862 0.338 5.21 8 7.0 0.3 140 1 10 1 31.458 62.917 0.339 5.2 8 32.5 6.7 141 6 6 0 31.462 62.925 0.339 5.2 4 58.1 10.7 142 5 7 1 31.486 62.973 0.339 5.19 8 12.3 1.0 143 2 3 3 31.503 63.007 0.339 5.18 8 14.4 1.3 144 1 4 3 31.597 63.194 0.34 5.15 8 92.2 53.5 145 3 0 3 31.761 63.522 0.342 5.09 4 135.7 57.3 146 2 8 2 31.804 63.609 0.342 5.07 8 8.1 0.4 147 7 0 1 31.824 63.648 0.342 5.07 4 241.2 180.1 148 4 9 0 31.827 63.653 0.342 5.07 4 89.2 24.6 149 3 1 3 31.916 63.831 0.343 5.03 8 83.2 42.6 150 7 1 1 31.978 63.957 0.344 5.01 8 73.7 33.3 151 3 2 3 32.376 64.753 0.348 4.88 8 62.9 23.6 152 7 2 1 32.439 64.877 0.348 4.86 8 3.5 0.1 153 2 10 1 32.445 64.889 0.348 4.86 8 9.2 0.5 154 6 0 2 32.456 64.912 0.348 4.85 4 23.0 1.6 155 2 4 3 32.581 65.162 0.35 4.81 8 6.5 0.2 156 6 1 2 32.609 65.217 0.35 4.81 8 0.9 0.0 157 0 5 3 32.652 65.305 0.35 4.79 4 31.7 2.9 158 5 5 2 32.691 65.382 0.351 4.78 8 18.9 2.1 159 1 5 3 32.976 65.953 0.353 4.69 8 123.4 87.3 160 6 2 2 33.064 66.128 0.354 4.67 8 61.9 21.8 161 6 6 1 33.089 66.179 0.354 4.66 8 14.5 1.2 162 3 3 3 33.137 66.274 0.355 4.64 8 74.4 31.4 163 7 3 1 33.198 66.397 0.355 4.63 8 16.5 1.5 164 4 7 2 33.419 66.838 0.358 4.56 8 59.9 20.0 165 1 9 2 33.421 66.842 0.358 4.56 8 21.3 2.5 166 3 8 2 33.43 66.86 0.358 4.56 8 7.1 0.3 167 4 9 1 33.444 66.888 0.358 4.55 8 21.6 2.6 168 6 7 0 33.45 66.899 0.358 4.55 4 18.4 0.9 169 5 8 1 33.773 67.546 0.361 4.46 8 20.5 2.3 170 6 3 2 33.817 67.633 0.361 4.45 8 0.4 0.0 171 2 5 3 33.939 67.878 0.362 4.42 8 136.7 100.9 172 2 11 0 34.013 68.026 0.363 4.4 4 57.9 9.0 173 4 0 3 34.027 68.054 0.363 4.39 4 121.7 39.8 174 3 10 1 34.054 68.108 0.363 4.38 8 133.9 96.0 175 4 1 3 34.176 68.352 0.365 4.35 8 32.5 5.6 176 3 4 3 34.187 68.374 0.365 4.35 8 61.5 20.1 177 7 4 1 34.248 68.495 0.365 4.33 8 7.3 0.3 178 0 11 1 34.323 68.646 0.366 4.31 4 25.2 1.7 179 5 6 2 34.345 68.69 0.366 4.31 8 11.3 0.7 180 2 9 2 34.377 68.755 0.367 4.3 8 60.2 19.1 181 4 2 3 34.622 69.243 0.369 4.24 8 20.7 2.2 182 1 6 3 34.623 69.247 0.369 4.24 8 35.7 6.6 183 1 11 1 34.639 69.279 0.369 4.23 8 30.9 4.9 184 4 10 0 34.695 69.39 0.369 4.22 4 107.5 29.8 185 6 4 2 34.857 69.714 0.371 4.18 8 51.2 13.4 186 6 7 1 35.029 70.057 0.373 4.14 8 4.5 0.1 187 8 0 0 35.043 70.086 0.373 4.13 2 84.4 9.0 188 8 1 0 35.19 70.38 0.374 4.1 4 6.5 0.1 189 4 3 3 35.358 70.716 0.376 4.06 8 53.1 14.0 190 3 5 3 35.515 71.031 0.377 4.03 8 15.3 1.2 191 2 6 3 35.565 71.129 0.378 4.01 8 7.8 0.3 192 7 5 1 35.575 71.15 0.378 4.01 8 15.5 1.2 193 2 11 1 35.58 71.161 0.378 4.01 8 17.4 1.5 194 8 2 0 35.63 71.26 0.378 4.0 4 8.0 0.2 195 4 8 2 35.642 71.285 0.378 4.0 8 7.6 0.3 196 6 8 0 35.672 71.345 0.379 3.99 4 123.7 37.3 197 0 10 2 35.917 71.834 0.381 3.94 4 142.2 48.6 198 3 9 2 35.945 71.89 0.381 3.93 8 14.2 1.0 199 0 12 0 36.143 72.286 0.383 3.89 2 23.5 0.7 200 6 5 2 36.174 72.348 0.383 3.88 8 108.4 55.7 201 0 7 3 36.216 72.432 0.384 3.87 4 66.0 10.3 202 1 10 2 36.227 72.454 0.384 3.87 8 18.8 1.7 203 4 10 1 36.249 72.498 0.384 3.87 8 52.7 13.1 204 5 7 2 36.253 72.506 0.384 3.87 8 39.5 7.4 205 5 9 1 36.277 72.554 0.384 3.86 8 112.6 59.8 206 8 3 0 36.358 72.715 0.385 3.85 4 27.0 1.7 207 4 4 3 36.378 72.757 0.385 3.84 8 30.7 4.4 208 1 7 3 36.525 73.05 0.386 3.81 8 20.7 2.0 209 7 0 2 36.569 73.138 0.387 3.8 4 29.4 2.0 210 8 0 1 36.591 73.182 0.387 3.8 4 37.1 3.2 211 7 1 2 36.713 73.427 0.388 3.77 8 16.2 1.2 212 8 1 1 36.735 73.471 0.388 3.77 8 8.1 0.3 213 5 0 3 36.84 73.68 0.389 3.75 4 37.5 3.2 214 5 1 3 36.984 73.968 0.391 3.72 8 14.9 1.0 215 3 6 3 37.111 74.222 0.392 3.7 8 7.4 0.2 216 3 11 1 37.126 74.253 0.392 3.7 8 63.1 18.0 217 7 2 2 37.146 74.291 0.392 3.69 8 5.5 0.1 218 2 10 2 37.151 74.302 0.392 3.69 8 12.1 0.7 219 8 2 1 37.168 74.335 0.392 3.69 8 8.9 0.4 220 7 6 1 37.169 74.339 0.392 3.69 8 64.1 18.5 221 6 8 1 37.209 74.419 0.393 3.68 8 32.1 4.6 222 8 4 0 37.367 74.734 0.394 3.65 4 88.9 17.6 223 2 12 0 37.374 74.748 0.394 3.65 4 68.9 10.6 224 5 2 3 37.415 74.831 0.394 3.64 8 13.4 0.8 225 2 7 3 37.446 74.893 0.395 3.64 8 3.1 0.0 226 4 5 3 37.674 75.348 0.397 3.6 8 25.7 2.9 227 4 11 0 37.745 75.49 0.397 3.59 4 8.1 0.1 228 6 6 2 37.759 75.518 0.397 3.58 8 9.1 0.4 229 7 3 2 37.862 75.724 0.398 3.57 8 24.9 2.7 230 8 3 1 37.884 75.768 0.399 3.56 8 17.5 1.3 231 1 12 1 37.977 75.954 0.399 3.55 8 22.2 2.1 232 4 9 2 38.094 76.189 0.4 3.53 8 47.7 9.8 233 6 9 0 38.123 76.247 0.401 3.52 4 28.9 1.8 234 5 3 3 38.13 76.26 0.401 3.52 8 37.1 5.9 235 5 8 2 38.406 76.813 0.403 3.48 8 30.4 3.9 236 8 5 0 38.651 77.302 0.405 3.44 4 52.0 5.7 237 1 8 3 38.673 77.346 0.406 3.44 8 46.8 9.2 238 3 10 2 38.673 77.347 0.406 3.44 8 24.9 2.6 239 7 4 2 38.858 77.715 0.407 3.41 8 32.7 4.5 240 8 4 1 38.879 77.759 0.407 3.41 8 36.3 5.5 241 2 12 1 38.886 77.773 0.408 3.41 8 8.2 0.3 242 3 7 3 38.965 77.93 0.408 3.39 8 69.4 20.0 243 5 10 1 38.997 77.994 0.408 3.39 8 39.8 6.6 244 7 7 1 39.023 78.045 0.409 3.39 8 9.4 0.4 245 5 4 3 39.123 78.247 0.41 3.37 8 70.0 20.2 246 1 11 2 39.231 78.462 0.411 3.36 8 0.2 0.0 247 4 6 3 39.237 78.475 0.411 3.36 8 9.8 0.4 248 4 11 1 39.253 78.505 0.411 3.35 8 5.2 0.1 249 2 8 3 39.578 79.155 0.414 3.31 8 11.6 0.5 250 6 7 2 39.603 79.206 0.414 3.31 8 3.9 0.1 251 6 9 1 39.626 79.253 0.414 3.3 8 21.0 1.8 252 0 0 4 39.824 79.648 0.416 3.28 2 254.0 64.6 253 1 0 4 40.124 80.248 0.418 3.24 4 8.4 0.1 254 7 5 2 40.127 80.254 0.418 3.24 8 13.1 0.7 255 2 11 2 40.132 80.264 0.418 3.24 8 54.0 11.5 256 8 5 1 40.148 80.297 0.419 3.24 8 16.1 1.0 257 6 0 3 40.174 80.348 0.419 3.23 4 15.7 0.5 258 8 6 0 40.203 80.406 0.419 3.23 4 21.4 0.9 259 1 1 4 40.264 80.528 0.42 3.22 8 18.6 1.4 260 6 1 3 40.314 80.628 0.42 3.22 8 9.0 0.3 261 0 2 4 40.386 80.772 0.421 3.21 4 1.7 0.0 262 3 12 1 40.389 80.777 0.421 3.21 8 42.2 7.0 263 5 5 3 40.39 80.781 0.421 3.21 8 149.6 87.7 264 1 2 4 40.685 81.369 0.423 3.17 8 20.2 1.6 265 6 2 3 40.735 81.469 0.424 3.17 8 59.3 13.6 266 0 9 3 40.767 81.534 0.424 3.16 4 29.8 1.7 267 4 10 2 40.776 81.551 0.424 3.16 8 157.7 96.0 268 5 9 2 40.802 81.605 0.424 3.16 8 16.2 1.0 269 6 10 0 40.804 81.608 0.424 3.16 4 12.1 0.3 270 2 13 0 40.91 81.821 0.425 3.15 4 12.2 0.3 271 4 12 0 40.993 81.986 0.426 3.14 4 14.5 0.4 272 2 0 4 41.02 82.04 0.426 3.14 4 14.3 0.4 273 4 7 3 41.063 82.126 0.426 3.13 8 67.9 17.7 274 1 9 3 41.065 82.13 0.426 3.13 8 90.0 31.0 275 3 8 3 41.073 82.147 0.426 3.13 8 45.6 7.9 276 8 0 2 41.105 82.211 0.427 3.13 4 142.4 38.8 277 7 8 1 41.13 82.261 0.427 3.12 8 9.3 0.3 278 2 1 4 41.16 82.319 0.427 3.12 8 0.3 0.0 279 0 13 1 41.201 82.402 0.428 3.12 4 48.4 4.5 280 8 1 2 41.245 82.49 0.428 3.11 8 33.0 4.1 281 1 3 4 41.383 82.767 0.429 3.1 8 0.4 0.0 282 6 3 3 41.433 82.866 0.43 3.09 8 5.9 0.1 283 1 13 1 41.499 82.998 0.43 3.09 8 15.4 0.9 284 2 2 4 41.578 83.157 0.431 3.08 8 29.5 3.3 285 3 11 2 41.624 83.247 0.431 3.07 8 4.8 0.1 286 8 2 2 41.664 83.327 0.432 3.07 8 24.5 2.2 287 7 6 2 41.665 83.331 0.432 3.07 8 22.6 1.9 288 8 6 1 41.687 83.373 0.432 3.07 8 37.0 5.1 289 6 8 2 41.704 83.408 0.432 3.07 8 69.9 18.3 290 9 0 1 41.722 83.443 0.432 3.06 4 10.5 0.2 291 9 1 1 41.861 83.722 0.433 3.05 8 4.8 0.1 292 5 6 3 41.927 83.854 0.434 3.05 8 54.0 10.8 293 5 11 1 41.942 83.884 0.434 3.04 8 24.2 2.2 294 2 9 3 41.957 83.914 0.434 3.04 8 58.0 12.5 295 8 7 0 42.019 84.038 0.435 3.04 4 37.4 2.6 296 0 4 4 42.062 84.123 0.435 3.03 4 28.5 1.5 297 0 12 2 42.154 84.307 0.436 3.02 4 37.8 2.6 298 2 3 4 42.274 84.549 0.437 3.01 8 3.2 0.0 299 9 2 1 42.278 84.557 0.437 3.01 8 25.8 2.4 300 6 10 1 42.284 84.567 0.437 3.01 8 8.9 0.3 301 1 4 4 42.358 84.716 0.437 3.01 8 41.3 6.3 302 8 3 2 42.359 84.719 0.437 3.01 8 76.3 21.4 303 2 13 1 42.389 84.779 0.438 3.0 8 3.9 0.1 304 6 4 3 42.408 84.815 0.438 3.0 8 27.1 2.7 305 1 12 2 42.45 84.9 0.438 3.0 8 42.3 6.5 306 4 12 1 42.471 84.943 0.438 3.0 8 1.7 0.0 307 3 0 4 42.505 85.011 0.439 2.99 4 38.5 2.7 308 3 1 4 42.644 85.289 0.44 2.98 8 15.9 0.9 309 9 3 1 42.973 85.946 0.442 2.96 8 17.7 1.1 310 3 2 4 43.061 86.122 0.443 2.95 8 10.4 0.4 311 4 8 3 43.15 86.301 0.444 2.94 8 10.1 0.4 312 2 4 4 43.246 86.493 0.445 2.94 8 7.0 0.2 313 8 4 2 43.331 86.662 0.445 2.93 8 51.9 9.6 314 2 12 2 43.338 86.676 0.445 2.93 8 22.0 1.7 315 3 9 3 43.438 86.876 0.446 2.92 8 98.8 34.8 316 5 10 2 43.446 86.893 0.446 2.92 8 13.8 0.7 317 7 7 2 43.471 86.943 0.447 2.92 8 31.2 3.5 318 0 14 0 43.48 86.96 0.447 2.92 2 3.4 0.0 319 8 7 1 43.493 86.985 0.447 2.92 8 11.5 0.5 320 7 9 1 43.494 86.989 0.447 2.92 8 63.8 14.5 321 1 5 4 43.607 87.214 0.448 2.91 8 35.3 4.4 322 6 5 3 43.656 87.313 0.448 2.91 8 7.2 0.2 323 4 11 2 43.697 87.394 0.448 2.9 8 26.7 2.5 324 1 10 3 43.707 87.413 0.449 2.9 8 63.4 14.2 325 6 11 0 43.725 87.45 0.449 2.9 4 28.0 1.4 326 5 7 3 43.732 87.463 0.449 2.9 8 24.1 2.1 327 3 3 4 43.754 87.508 0.449 2.9 8 9.6 0.3 328 3 13 1 43.868 87.737 0.45 2.89 8 60.1 12.8 329 9 4 1 43.943 87.886 0.45 2.89 8 60.0 12.7 330 7 0 3 44.034 88.067 0.451 2.88 4 169.2 50.4 331 6 9 2 44.064 88.128 0.451 2.88 8 66.4 15.5 332 8 8 0 44.101 88.201 0.452 2.88 4 16.3 0.5 333 7 1 3 44.172 88.344 0.452 2.87 8 54.6 10.5 334 4 13 0 44.466 88.932 0.455 2.86 4 48.1 4.0 335 2 5 4 44.493 88.986 0.455 2.86 8 138.1 66.5 336 4 0 4 44.575 89.149 0.456 2.85 4 135.3 31.9 337 8 5 2 44.578 89.155 0.456 2.85 8 44.4 6.9 338 7 2 3 44.587 89.175 0.456 2.85 8 1.5 0.0 339 2 10 3 44.593 89.185 0.456 2.85 8 18.3 1.2 340 2 14 0 44.661 89.323 0.456 2.85 4 0.6 0.0 341 4 1 4 44.713 89.426 0.457 2.84 8 22.0 1.7 342 3 4 4 44.723 89.446 0.457 2.84 8 17.9 1.1 343 3 12 2 44.815 89.63 0.458 2.84 8 4.3 0.1 344 0 6 4 44.835 89.67 0.458 2.84 4 24.7 1.1 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 2 0 0 8.253 16.506 5.366 12.6 1.1 1.1 5.6 2 2 1 0 8.727 17.454 5.07667 52.7 4.6 4.7 5.6 3 2 2 0 10.019 20.039 4.42741 129.7 11.2 11.5 5.6 4 1 0 1 10.105 20.211 4.39007 248.3 21.5 22.1 5.6 5 1 1 1 10.499 20.997 4.22734 86.4 7.5 7.7 5.6 6 0 4 0 11.338 22.676 3.918 14.1 1.2 1.3 5.6 7 1 2 1 11.602 23.205 3.82996 433.9 37.5 38.5 5.6 8 0 3 1 12.572 25.143 3.5389 83.0 7.2 7.4 5.6 9 2 1 1 12.743 25.486 3.49203 81.9 7.1 7.3 5.6 10 1 3 1 13.249 26.499 3.36089 277.0 23.9 24.5 5.6 11 2 2 1 13.676 27.353 3.25783 41.6 3.6 3.7 5.6 12 1 4 1 15.278 30.557 2.92315 944.8 81.7 83.4 5.6 13 3 0 1 15.565 31.129 2.8707 1057.8 91.4 93.3 5.6 14 3 1 1 15.83 31.661 2.82372 669.8 57.9 59.0 5.6 15 2 5 0 16.535 33.07 2.7065 537.6 46.5 47.3 5.6 16 3 2 1 16.605 33.209 2.69551 334.1 28.9 29.4 5.6 17 4 0 0 16.684 33.368 2.683 205.8 17.8 18.1 5.7 18 4 1 0 16.934 33.868 2.64453 36.7 3.2 3.2 5.7 19 0 6 0 17.152 34.303 2.612 60.7 5.2 5.3 5.7 20 1 5 1 17.575 35.151 2.55094 1036.6 89.6 91.1 5.7 21 3 3 1 17.829 35.657 2.51586 373.3 32.3 32.8 5.7 22 0 0 2 18.676 37.352 2.4055 184.4 15.9 16.2 5.7 23 4 3 0 18.829 37.658 2.38663 149.6 12.9 13.1 5.7 24 2 5 1 19.059 38.119 2.35885 317.5 27.4 27.8 5.7 25 1 0 2 19.157 38.314 2.34726 12.4 1.1 1.1 5.7 26 4 0 1 19.191 38.383 2.34325 202.0 17.5 17.7 5.7 27 3 4 1 19.429 38.858 2.31565 245.1 21.2 21.5 5.7 28 1 2 2 20.033 40.067 2.24855 72.8 6.3 6.4 5.7 29 1 6 1 20.069 40.138 2.24473 101.5 8.8 8.9 5.7 30 4 4 0 20.363 40.725 2.2137 60.6 5.2 5.3 5.7 31 3 5 1 21.337 42.674 2.11699 81.0 7.0 7.1 5.7 32 2 2 2 21.372 42.745 2.11367 19.8 1.7 1.7 5.7 33 2 6 1 21.406 42.812 2.1105 13.4 1.2 1.2 5.7 34 1 4 2 22.491 44.983 2.01356 14.8 1.3 1.3 5.7 35 1 7 1 22.719 45.438 1.99447 48.2 4.2 4.2 5.7 36 5 0 1 23.139 46.278 1.96017 25.2 2.2 2.2 5.7 37 5 1 1 23.33 46.66 1.94501 28.1 2.4 2.4 5.7 38 2 4 2 23.718 47.436 1.91498 19.1 1.7 1.7 5.7 39 5 2 1 23.896 47.792 1.90157 35.5 3.1 3.1 5.7 40 5 3 1 24.817 49.634 1.83523 29.1 2.5 2.5 5.7 41 2 5 2 25.367 50.734 1.79798 1157.1 100.0 100.0 5.8 42 4 0 2 25.472 50.944 1.79104 443.4 38.3 38.3 5.8 43 1 8 1 25.504 51.008 1.78897 57.8 5.0 5.0 5.8 44 4 1 2 25.65 51.3 1.77946 31.9 2.8 2.8 5.8 45 0 6 2 25.806 51.611 1.76945 35.9 3.1 3.1 5.8 46 3 7 1 25.869 51.738 1.76543 112.2 9.7 9.7 5.8 47 5 4 1 26.066 52.132 1.75302 68.1 5.9 5.9 5.8 48 6 2 0 26.214 52.428 1.74381 131.7 11.4 11.4 5.8 49 4 7 0 26.622 53.244 1.71898 95.9 8.3 8.3 5.8 50 4 3 2 27.042 54.085 1.69424 128.8 11.1 11.1 5.8 51 3 5 2 27.225 54.45 1.68372 13.1 1.1 1.1 5.8 52 5 5 1 27.612 55.224 1.66194 211.4 18.3 18.2 5.8 53 2 9 0 27.714 55.428 1.6563 79.5 6.9 6.8 5.8 54 4 4 2 28.221 56.443 1.62892 62.5 5.4 5.4 5.8 55 6 4 0 28.255 56.51 1.62713 50.2 4.3 4.3 5.8 56 1 9 1 28.417 56.833 1.61865 146.0 12.6 12.5 5.8 57 1 0 3 29.056 58.111 1.58606 51.0 4.4 4.4 5.8 58 1 1 3 29.218 58.437 1.578 36.7 3.2 3.1 5.8 59 0 10 0 29.439 58.879 1.5672 330.9 28.6 28.3 5.8 60 6 5 0 29.725 59.449 1.55351 491.3 42.5 42.0 5.8 61 1 3 3 30.501 61.001 1.51765 23.4 2.0 2.0 5.8 62 3 9 1 31.156 62.312 1.48884 112.8 9.7 9.6 5.8 63 6 6 0 31.462 62.925 1.4758 18.4 1.6 1.6 5.9 64 1 4 3 31.597 63.194 1.47016 53.5 4.6 4.5 5.9 65 3 0 3 31.761 63.522 1.46336 57.3 5.0 4.9 5.9 66 7 0 1 31.824 63.648 1.46076 204.7 17.7 17.4 5.9 67 3 1 3 31.916 63.831 1.45702 42.6 3.7 3.6 5.9 68 7 1 1 31.978 63.957 1.45446 33.3 2.9 2.8 5.9 69 3 2 3 32.376 64.753 1.43849 23.6 2.0 2.0 5.9 70 1 5 3 32.976 65.953 1.41519 87.3 7.5 7.4 5.9 71 6 2 2 33.064 66.128 1.41186 23.0 2.0 1.9 5.9 72 3 3 3 33.137 66.274 1.40911 31.4 2.7 2.7 5.9 73 4 7 2 33.419 66.838 1.39858 25.4 2.2 2.1 5.9 74 2 5 3 33.939 67.878 1.37966 100.9 8.7 8.5 5.9 75 3 10 1 34.054 68.108 1.37556 144.8 12.5 12.2 5.9 76 3 4 3 34.187 68.374 1.37086 25.7 2.2 2.2 5.9 77 2 9 2 34.377 68.755 1.3642 19.1 1.6 1.6 5.9 78 1 11 1 34.639 69.279 1.35515 13.7 1.2 1.2 5.9 79 4 10 0 34.695 69.39 1.35325 29.8 2.6 2.5 5.9 80 6 4 2 34.857 69.714 1.34775 13.4 1.2 1.1 5.9 81 4 3 3 35.358 70.716 1.33108 14.0 1.2 1.2 5.9 82 6 8 0 35.672 71.345 1.3209 37.3 3.2 3.1 5.9 83 0 10 2 35.917 71.834 1.3131 49.6 4.3 4.2 5.9 84 6 5 2 36.174 72.348 1.30502 55.7 4.8 4.7 5.9 85 0 7 3 36.216 72.432 1.30372 12.0 1.0 1.0 5.9 86 5 9 1 36.277 72.554 1.30183 80.3 6.9 6.7 6.0 87 3 11 1 37.126 74.253 1.2762 18.8 1.6 1.6 6.0 88 7 6 1 37.169 74.339 1.27493 18.5 1.6 1.5 6.0 89 8 4 0 37.367 74.734 1.26917 28.2 2.4 2.4 6.0 90 4 9 2 38.094 76.189 1.24851 11.6 1.0 1.0 6.0 91 1 8 3 38.673 77.346 1.23269 17.5 1.5 1.4 6.0 92 3 7 3 38.965 77.93 1.22491 20.0 1.7 1.6 6.0 93 5 4 3 39.123 78.247 1.22074 20.2 1.7 1.7 6.0 94 0 0 4 39.824 79.648 1.20275 64.6 5.6 5.3 6.0 95 2 11 2 40.132 80.264 1.19506 12.5 1.1 1.0 6.0 96 5 5 3 40.39 80.781 1.18872 94.7 8.2 7.8 6.1 97 6 2 3 40.735 81.469 1.1804 13.6 1.2 1.1 6.1 98 4 10 2 40.776 81.551 1.17943 99.1 8.6 8.1 6.1 99 1 9 3 41.065 82.13 1.17257 56.6 4.9 4.6 6.1 100 8 0 2 41.105 82.211 1.17162 39.1 3.4 3.2 6.1 101 6 8 2 41.704 83.408 1.15782 27.8 2.4 2.3 6.1 102 2 9 3 41.957 83.914 1.15212 25.5 2.2 2.1 6.1 103 8 3 2 42.359 84.719 1.14322 27.7 2.4 2.2 6.1 104 3 9 3 43.438 86.876 1.1203 35.5 3.1 2.9 6.1 105 7 9 1 43.494 86.989 1.11913 18.5 1.6 1.5 6.1 106 1 10 3 43.707 87.413 1.11478 20.5 1.8 1.7 6.2 107 3 13 1 43.868 87.737 1.11151 12.8 1.1 1.0 6.2 108 9 4 1 43.943 87.886 1.11 12.7 1.1 1.0 6.2 109 7 0 3 44.034 88.067 1.10819 65.9 5.7 5.3 6.2 110 2 5 4 44.493 88.986 1.09911 70.5 6.1 5.7 6.2 111 4 0 4 44.575 89.149 1.09752 39.9 3.5 3.2 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) |