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 *** *********************** DATOLITE 1, t-datolite, f-datolite CaBSiO(4)(OH) Monoclinic P 2(1)/c Z = 4 P2(1)/c 3 .5 .1988 Ref.Str.: Pant A.K., Crickshank D.W.J. (1967) * Z. Kristallogr., 125, 286-297 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.84 alpha = 90.0 b = 7.6 beta = 90.9 c = 9.62 gamma = 90.0 Unit cell volume (cub. angs.) = 353.82 Molar volume ( cub.cm/mol.) = 53.28 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.9926 0.1049 0.3365 0.0 Ca = 1.00 2 0.4707 0.2663 0.0845 0.0 B = 1.00 3 0.587 0.406 0.344 0.0 Si = 1.00 4 0.241 0.399 0.04 0.0 O = 1.00 5 0.684 0.296 0.457 0.0 O = 1.00 6 0.69 0.331 0.21 0.0 O = 1.00 7 0.319 0.087 0.144 0.0 O = 1.00 8 0.266 0.413 0.336 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.9926 0.1049 0.3365 2 2 0.4707 0.2663 0.0845 3 3 0.587 0.406 0.344 4 4 0.241 0.399 0.04 5 5 0.684 0.296 0.457 6 6 0.69 0.331 0.21 7 7 0.319 0.087 0.144 8 8 0.266 0.413 0.336 9 1 0.0074 0.6049 0.1635 10 2 0.5293 0.7663 0.4155 11 3 0.413 0.906 0.156 12 4 0.759 0.899 0.46 13 5 0.316 0.796 0.043 14 6 0.31 0.831 0.29 15 7 0.681 0.587 0.356 16 8 0.734 0.913 0.164 17 1 0.9926 0.3951 0.8365 18 2 0.4707 0.2337 0.5845 19 3 0.587 0.094 0.844 20 4 0.241 0.101 0.54 21 5 0.684 0.204 0.957 22 6 0.69 0.169 0.71 23 7 0.319 0.413 0.644 24 8 0.266 0.087 0.836 25 1 0.0074 0.8951 0.6635 26 2 0.5293 0.7337 0.9155 27 3 0.413 0.594 0.656 28 4 0.759 0.601 0.96 29 5 0.316 0.704 0.543 30 6 0.31 0.669 0.79 31 7 0.681 0.913 0.856 32 8 0.734 0.587 0.664 X-ray density (g/cm cub.) = 2.98 MU (1/cm) = 171.542 Mass attenuation coefficient (cm**2/g) = 57.499 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.88 8 2.3955 5 2.554 6 2.4567 7 2.6896 8 2.2761 4 2.6296 6 2.5263 8 2.2814 4 2 B 1.872 4 1.5561 4 1.669 6 1.6543 7 1.6835 5 3 Si 2.1 4 1.4439 5 1.5018 6 1.5552 8 1.4529 7 4 O 3.264 11 2.7482 6 3.1923 6 2.5989 7 2.8502 8 3.039 5 2.7359 5 3.1677 5 3.0816 8 3.0488 4 2.887 4 3.183 6 5 O 3.264 10 2.3916 6 3.1911 8 2.4829 8 3.039 4 2.4156 7 3.1677 4 2.7359 4 2.618 6 2.6921 7 2.9833 8 6 O 3.264 10 3.1923 4 2.7482 4 2.3916 5 2.6515 7 3.086 8 2.4793 8 2.4004 7 3.215 8 2.618 5 3.183 4 7 O 3.264 9 2.5989 4 2.6515 6 3.1033 8 2.4156 5 2.4004 6 2.41 8 3.1336 8 2.6921 5 2.97 8 8 O 3.264 12 2.8502 4 2.4829 5 3.1911 5 2.4793 6 3.086 6 3.1033 7 3.215 6 2.41 7 3.1336 7 3.0816 4 2.97 7 2.9833 5 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 1 7.422 14.843 0.084 116.91 4 2.6 2.5 2 1 0 0 9.159 18.317 0.103 76.01 2 23.3 66.1 3 0 0 2 9.216 18.432 0.104 75.04 2 39.2 184.0 4 1 1 0 10.877 21.754 0.122 53.27 4 15.8 42.7 5 0 1 2 10.926 21.851 0.123 52.77 4 40.8 280.3 6 0 2 0 11.695 23.39 0.132 45.79 2 16.1 18.9 7 1 1 -1 11.771 23.543 0.132 45.17 4 34.9 176.1 8 1 1 1 11.886 23.772 0.134 44.27 4 73.5 764.5 9 0 2 1 12.589 25.177 0.141 39.24 4 15.6 30.5 10 1 0 -2 12.945 25.891 0.145 36.99 2 22.0 28.7 11 1 0 2 13.154 26.308 0.148 35.77 2 57.0 185.7 12 1 1 -2 14.234 28.468 0.16 30.25 4 38.7 144.9 13 1 1 2 14.425 28.851 0.162 29.4 4 18.9 33.7 14 1 2 0 14.935 29.871 0.167 27.3 4 21.4 39.9 15 0 2 2 14.972 29.944 0.168 27.16 4 27.3 64.6 16 0 1 3 15.114 30.229 0.169 26.61 4 27.1 62.6 17 1 2 -1 15.613 31.226 0.175 24.82 4 99.2 780.6 18 1 2 1 15.701 31.403 0.176 24.52 4 66.3 344.5 19 1 2 -2 17.585 35.17 0.196 19.17 4 13.7 11.5 20 1 1 -3 17.669 35.338 0.197 18.97 4 72.0 314.7 21 1 2 2 17.744 35.487 0.198 18.8 4 1.9 0.2 22 1 1 3 17.906 35.811 0.2 18.43 4 84.3 418.4 23 0 2 3 18.321 36.641 0.204 17.53 4 8.5 4.0 24 0 3 1 18.326 36.652 0.204 17.51 4 4.8 1.3 25 2 0 0 18.562 37.125 0.207 17.03 2 3.9 0.4 26 0 0 4 18.682 37.365 0.208 16.79 2 64.1 110.1 27 2 1 0 19.517 39.033 0.217 15.24 4 31.0 46.7 28 0 1 4 19.632 39.264 0.218 15.04 4 33.1 52.8 29 2 1 -1 20.022 40.044 0.222 14.4 4 60.7 169.3 30 1 3 0 20.072 40.144 0.223 14.32 4 50.0 114.3 31 0 3 2 20.1 40.2 0.223 14.28 4 70.5 226.5 32 2 1 1 20.164 40.328 0.224 14.18 4 25.3 29.0 33 1 2 -3 20.526 41.051 0.228 13.62 4 57.2 142.2 34 1 3 -1 20.6 41.201 0.228 13.51 4 5.3 1.2 35 1 3 1 20.67 41.34 0.229 13.41 4 40.3 69.5 36 1 2 3 20.734 41.469 0.23 13.32 4 45.1 86.8 37 2 0 -2 20.738 41.477 0.23 13.31 2 73.0 113.4 38 1 0 -4 20.821 41.641 0.231 13.2 2 42.3 37.8 39 2 0 2 21.014 42.028 0.233 12.93 2 9.0 1.7 40 1 0 4 21.095 42.191 0.234 12.82 2 46.0 43.3 41 2 1 -2 21.612 43.224 0.239 12.14 4 31.9 39.3 42 1 1 -4 21.692 43.383 0.24 12.04 4 38.4 56.8 43 2 1 2 21.879 43.758 0.242 11.81 4 34.6 45.3 44 1 1 4 21.957 43.915 0.243 11.71 4 4.1 0.6 45 2 2 0 22.172 44.345 0.245 11.46 4 9.5 3.3 46 1 3 -2 22.19 44.379 0.245 11.44 4 35.6 46.4 47 0 2 4 22.276 44.552 0.246 11.34 4 36.0 47.1 48 1 3 2 22.32 44.641 0.247 11.29 4 3.5 0.5 49 2 2 -1 22.629 45.258 0.25 10.94 4 41.7 60.8 50 2 2 1 22.758 45.515 0.251 10.81 4 66.6 153.1 51 0 3 3 22.8 45.6 0.252 10.76 4 30.2 31.3 52 0 4 0 23.917 47.834 0.263 9.66 2 100.7 156.4 53 2 2 -2 24.08 48.161 0.265 9.51 4 18.3 10.1 54 2 1 -3 24.115 48.229 0.265 9.48 4 46.6 65.7 55 1 2 -4 24.153 48.307 0.266 9.44 4 13.6 5.6 56 2 2 2 24.326 48.651 0.267 9.29 4 0.2 0.0 57 0 1 5 24.395 48.791 0.268 9.23 4 18.7 10.3 58 1 2 4 24.398 48.796 0.268 9.23 4 23.8 16.7 59 0 4 1 24.409 48.818 0.268 9.22 4 19.1 10.7 60 2 1 3 24.482 48.963 0.269 9.16 4 64.9 123.1 61 1 3 -3 24.676 49.353 0.271 8.99 4 11.4 3.8 62 1 3 3 24.857 49.715 0.273 8.84 4 24.5 16.9 63 1 4 0 25.819 51.639 0.283 8.11 4 25.6 17.0 64 0 4 2 25.843 51.685 0.283 8.1 4 40.9 43.3 65 2 3 0 26.118 52.235 0.286 7.9 4 5.1 0.7 66 1 1 -5 26.128 52.255 0.286 7.9 4 38.1 36.6 67 0 3 4 26.209 52.419 0.287 7.84 4 85.4 182.9 68 1 4 -1 26.256 52.512 0.287 7.81 4 15.3 5.8 69 1 4 1 26.314 52.628 0.288 7.77 4 35.4 31.1 70 2 2 -3 26.403 52.806 0.289 7.71 4 11.3 3.2 71 1 1 5 26.417 52.833 0.289 7.7 4 0.7 0.0 72 2 3 -1 26.522 53.044 0.29 7.63 4 32.1 25.1 73 2 0 -4 26.618 53.236 0.291 7.57 2 46.1 25.7 74 2 3 1 26.637 53.274 0.291 7.56 4 9.4 2.1 75 0 2 5 26.666 53.332 0.291 7.54 4 43.2 44.9 76 2 2 3 26.747 53.494 0.292 7.49 4 5.5 0.7 77 2 0 4 27.074 54.147 0.295 7.28 2 43.9 22.4 78 2 1 -4 27.346 54.692 0.298 7.12 4 33.2 25.0 79 1 4 -2 27.593 55.186 0.301 6.97 4 10.8 2.6 80 1 4 2 27.705 55.409 0.302 6.91 4 13.9 4.2 81 2 1 4 27.793 55.587 0.303 6.86 4 51.3 57.7 82 2 3 -2 27.822 55.645 0.303 6.84 4 58.0 73.5 83 1 3 -4 27.888 55.777 0.304 6.81 4 16.1 5.7 84 2 3 2 28.044 56.088 0.305 6.72 4 74.1 117.9 85 1 3 4 28.11 56.22 0.306 6.69 4 26.3 14.8 86 0 4 3 28.115 56.231 0.306 6.68 4 1.5 0.0 87 1 2 -5 28.299 56.598 0.308 6.58 4 66.0 91.5 88 3 0 0 28.523 57.045 0.31 6.47 2 89.9 83.6 89 1 2 5 28.573 57.146 0.31 6.44 4 51.0 53.6 90 0 0 6 28.717 57.434 0.312 6.37 2 95.5 92.9 91 3 1 0 29.219 58.437 0.317 6.13 4 26.9 14.2 92 0 1 6 29.41 58.82 0.319 6.04 4 12.9 3.2 93 2 2 -4 29.457 58.913 0.319 6.02 4 30.1 17.4 94 3 1 -1 29.568 59.135 0.32 5.96 4 22.9 10.0 95 3 1 1 29.728 59.456 0.322 5.89 4 28.7 15.5 96 1 4 -3 29.748 59.497 0.322 5.88 4 0.3 0.0 97 2 2 4 29.883 59.767 0.323 5.82 4 18.2 6.2 98 1 4 3 29.908 59.816 0.324 5.81 4 1.4 0.0 99 2 3 -3 29.941 59.881 0.324 5.8 4 7.7 1.1 100 3 0 -2 30.083 60.167 0.325 5.74 2 8.9 0.7 101 0 3 5 30.183 60.366 0.326 5.7 4 17.5 5.6 102 1 0 -6 30.251 60.501 0.327 5.67 2 21.2 4.1 103 2 3 3 30.258 60.516 0.327 5.66 4 7.2 0.9 104 3 0 2 30.4 60.799 0.328 5.61 2 74.1 49.2 105 1 0 6 30.566 61.132 0.33 5.54 2 23.0 4.7 106 3 1 -2 30.757 61.515 0.332 5.46 4 33.8 20.0 107 0 5 1 30.867 61.735 0.333 5.42 4 13.4 3.1 108 1 1 -6 30.922 61.845 0.334 5.4 4 1.5 0.0 109 2 4 0 31.028 62.056 0.335 5.36 4 16.8 4.8 110 3 1 2 31.07 62.139 0.335 5.34 4 21.8 8.1 111 0 4 4 31.11 62.22 0.335 5.33 4 40.4 27.7 112 2 1 -5 31.173 62.345 0.336 5.3 4 20.6 7.2 113 1 1 6 31.234 62.467 0.337 5.28 4 4.2 0.3 114 3 2 0 31.248 62.497 0.337 5.27 4 7.3 0.9 115 2 4 -1 31.391 62.782 0.338 5.22 4 9.3 1.5 116 0 2 6 31.432 62.865 0.339 5.21 4 42.2 29.6 117 2 4 1 31.494 62.988 0.339 5.18 4 1.9 0.1 118 3 2 -1 31.584 63.168 0.34 5.15 4 38.1 23.9 119 2 1 5 31.688 63.377 0.341 5.11 4 35.1 20.1 120 1 3 -5 31.699 63.398 0.341 5.11 4 0.7 0.0 121 3 2 1 31.738 63.476 0.341 5.1 4 21.6 7.6 122 1 3 5 31.955 63.91 0.344 5.02 4 12.9 2.7 123 1 5 0 32.085 64.169 0.345 4.98 4 18.2 5.3 124 0 5 2 32.105 64.21 0.345 4.97 4 0.4 0.0 125 1 5 -1 32.466 64.932 0.348 4.85 4 44.4 30.6 126 1 5 1 32.517 65.034 0.349 4.84 4 36.6 20.7 127 2 4 -2 32.567 65.133 0.349 4.82 4 35.7 19.6 128 1 4 -4 32.627 65.253 0.35 4.8 4 5.0 0.4 129 3 2 -2 32.731 65.462 0.351 4.77 4 2.3 0.1 130 3 1 -3 32.734 65.468 0.351 4.77 4 39.3 23.5 131 2 4 2 32.769 65.537 0.351 4.76 4 9.4 1.4 132 2 3 -4 32.784 65.568 0.351 4.75 4 23.7 8.5 133 1 4 4 32.828 65.657 0.352 4.74 4 10.4 1.7 134 1 2 -6 32.89 65.781 0.352 4.72 4 14.4 3.1 135 3 2 2 33.033 66.066 0.354 4.67 4 20.5 6.3 136 2 2 -5 33.132 66.265 0.355 4.64 4 8.3 1.0 137 2 3 4 33.186 66.372 0.355 4.63 4 3.0 0.1 138 3 1 3 33.186 66.372 0.355 4.63 4 13.9 2.8 139 1 2 6 33.192 66.383 0.355 4.63 4 2.4 0.1 140 2 2 5 33.632 67.264 0.36 4.5 4 8.7 1.1 141 1 5 -2 33.647 67.293 0.36 4.5 4 19.0 5.2 142 1 5 2 33.746 67.492 0.361 4.47 4 7.3 0.8 143 0 5 3 34.113 68.226 0.364 4.37 4 36.1 18.2 144 3 3 0 34.478 68.957 0.367 4.27 4 71.3 69.5 145 2 4 -3 34.512 69.024 0.368 4.26 4 28.6 11.1 146 3 2 -3 34.647 69.294 0.369 4.23 4 39.0 20.5 147 0 3 6 34.653 69.306 0.369 4.23 4 28.8 11.2 148 0 1 7 34.726 69.452 0.37 4.21 4 27.0 9.8 149 0 4 5 34.737 69.474 0.37 4.21 4 11.6 1.8 150 3 3 -1 34.798 69.595 0.37 4.19 4 1.3 0.0 151 3 0 -4 34.806 69.612 0.371 4.19 2 76.6 39.3 152 2 4 3 34.806 69.612 0.371 4.19 4 18.6 4.6 153 2 0 -6 34.903 69.806 0.371 4.17 2 48.6 15.7 154 3 3 1 34.944 69.889 0.372 4.16 4 3.0 0.1 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 1 0 0 9.159 18.317 4.8394 66.1 8.5 8.6 5.6 2 0 0 2 9.216 18.432 4.80941 184.0 23.6 23.8 5.6 3 1 1 0 10.877 21.754 4.08208 42.7 5.5 5.5 5.6 4 0 1 2 10.926 21.851 4.06403 280.3 35.9 36.2 5.6 5 0 2 0 11.695 23.39 3.8 18.9 2.4 2.4 5.6 6 1 1 -1 11.771 23.543 3.77573 176.1 22.6 22.7 5.6 7 1 1 1 11.886 23.772 3.73992 764.5 97.9 98.5 5.6 8 0 2 1 12.589 25.177 3.5342 30.5 3.9 3.9 5.6 9 1 0 -2 12.945 25.891 3.43843 28.7 3.7 3.7 5.6 10 1 0 2 13.154 26.308 3.38484 185.7 23.8 23.9 5.6 11 1 1 -2 14.234 28.468 3.13273 144.9 18.6 18.6 5.6 12 1 1 2 14.425 28.851 3.09204 33.7 4.3 4.3 5.6 13 1 2 0 14.935 29.871 2.98873 39.9 5.1 5.1 5.6 14 0 2 2 14.972 29.944 2.98162 64.6 8.3 8.3 5.6 15 0 1 3 15.114 30.229 2.95414 62.6 8.0 8.0 5.6 16 1 2 -1 15.613 31.226 2.862 780.6 100.0 100.0 5.6 17 1 2 1 15.701 31.403 2.84631 344.5 44.1 44.1 5.6 18 1 2 -2 17.585 35.17 2.54961 11.5 1.5 1.5 5.7 19 1 1 -3 17.669 35.338 2.53786 314.7 40.3 40.2 5.7 20 1 1 3 17.906 35.811 2.5054 418.4 53.6 53.4 5.7 21 0 0 4 18.682 37.365 2.4047 110.1 14.1 14.0 5.7 22 2 1 0 19.517 39.033 2.30566 46.7 6.0 5.9 5.7 23 0 1 4 19.632 39.264 2.29268 52.8 6.8 6.7 5.7 24 2 1 -1 20.022 40.044 2.24979 169.3 21.7 21.5 5.7 25 0 3 2 20.1 40.2 2.2414 340.8 43.7 43.3 5.7 26 2 1 1 20.164 40.328 2.23458 29.0 3.7 3.7 5.7 27 1 2 -3 20.526 41.051 2.19687 142.2 18.2 18.1 5.7 28 1 3 1 20.67 41.34 2.18218 69.5 8.9 8.8 5.7 29 2 0 -2 20.738 41.477 2.17531 200.1 25.6 25.4 5.7 30 1 0 -4 20.821 41.641 2.1671 37.8 4.8 4.8 5.7 31 1 0 4 21.095 42.191 2.14014 43.3 5.5 5.5 5.7 32 2 1 -2 21.612 43.224 2.09133 39.3 5.0 5.0 5.7 33 1 1 -4 21.692 43.383 2.08403 56.8 7.3 7.2 5.7 34 2 1 2 21.879 43.758 2.06706 45.3 5.8 5.7 5.7 35 1 3 -2 22.19 44.379 2.03954 49.7 6.4 6.3 5.7 36 0 2 4 22.276 44.552 2.03201 47.1 6.0 6.0 5.7 37 2 2 -1 22.629 45.258 2.00198 60.8 7.8 7.7 5.7 38 2 2 1 22.758 45.515 1.99124 153.1 19.6 19.3 5.7 39 0 3 3 22.8 45.6 1.98775 31.3 4.0 4.0 5.7 40 0 4 0 23.917 47.834 1.9 156.4 20.0 19.7 5.7 41 2 2 -2 24.08 48.161 1.88786 10.1 1.3 1.3 5.7 42 2 1 -3 24.115 48.229 1.88534 65.7 8.4 8.3 5.7 43 0 4 1 24.409 48.818 1.86398 37.6 4.8 4.7 5.7 44 2 1 3 24.482 48.963 1.85877 123.1 15.8 15.5 5.7 45 1 3 3 24.857 49.715 1.83243 16.9 2.2 2.1 5.7 46 0 4 2 25.843 51.685 1.7671 60.3 7.7 7.6 5.8 47 1 1 -5 26.128 52.255 1.74916 36.6 4.7 4.6 5.8 48 0 3 4 26.209 52.419 1.74408 182.9 23.4 22.9 5.8 49 1 4 1 26.314 52.628 1.73765 31.1 4.0 3.9 5.8 50 2 3 -1 26.522 53.044 1.72498 25.1 3.2 3.1 5.8 51 2 0 -4 26.618 53.236 1.71922 27.8 3.6 3.5 5.8 52 0 2 5 26.666 53.332 1.71635 44.9 5.8 5.6 5.8 53 2 0 4 27.074 54.147 1.69242 22.4 2.9 2.8 5.8 54 2 1 -4 27.346 54.692 1.67685 25.0 3.2 3.1 5.8 55 2 1 4 27.793 55.587 1.65196 57.7 7.4 7.2 5.8 56 2 3 -2 27.822 55.645 1.65037 73.5 9.4 9.2 5.8 57 2 3 2 28.044 56.088 1.63836 117.9 15.1 14.7 5.8 58 1 3 4 28.11 56.22 1.63485 14.8 1.9 1.8 5.8 59 1 2 -5 28.299 56.598 1.62482 91.5 11.7 11.4 5.8 60 3 0 0 28.523 57.045 1.61313 83.6 10.7 10.4 5.8 61 1 2 5 28.573 57.146 1.61053 53.6 6.9 6.7 5.8 62 0 0 6 28.717 57.434 1.60314 92.9 11.9 11.6 5.8 63 3 1 0 29.219 58.437 1.57798 14.2 1.8 1.8 5.8 64 2 2 -4 29.457 58.913 1.56636 17.4 2.2 2.2 5.8 65 3 1 -1 29.568 59.135 1.561 10.0 1.3 1.2 5.8 66 3 1 1 29.728 59.456 1.55336 15.5 2.0 1.9 5.8 67 3 0 2 30.4 60.799 1.52221 49.2 6.3 6.1 5.8 68 3 1 -2 30.757 61.515 1.50621 20.0 2.6 2.5 5.8 69 3 1 2 31.07 62.139 1.49256 8.1 1.0 1.0 5.8 70 0 4 4 31.11 62.22 1.49081 27.7 3.6 3.4 5.8 71 0 2 6 31.432 62.865 1.47707 29.6 3.8 3.6 5.9 72 3 2 -1 31.584 63.168 1.47071 23.9 3.1 2.9 5.9 73 2 1 5 31.688 63.377 1.46637 20.2 2.6 2.5 5.9 74 1 5 -1 32.466 64.932 1.43494 30.6 3.9 3.8 5.9 75 1 5 1 32.517 65.034 1.43295 20.7 2.7 2.5 5.9 76 2 4 -2 32.567 65.133 1.431 19.6 2.5 2.4 5.9 77 3 1 -3 32.734 65.468 1.4245 23.5 3.0 2.9 5.9 78 2 3 -4 32.784 65.568 1.42257 9.9 1.3 1.2 5.9 79 0 5 3 34.113 68.226 1.37348 18.2 2.3 2.2 5.9 80 3 3 0 34.478 68.957 1.36069 69.5 8.9 8.5 5.9 81 2 4 -3 34.512 69.024 1.35953 11.1 1.4 1.4 5.9 82 3 2 -3 34.647 69.294 1.35489 31.7 4.1 3.9 5.9 83 0 1 7 34.726 69.452 1.35219 11.6 1.5 1.4 5.9 84 3 0 -4 34.806 69.612 1.34947 43.9 5.6 5.4 5.9 85 2 0 -6 34.903 69.806 1.3462 15.7 2.0 1.9 5.9 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) |