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 *** *********************** ARSENATROTITANITE 1, t-titanite, f-durangite Na(Ti,Fe,Al)[AsO(4)](O,F) Monoclinic C 2/c Z = 4 R =0.0176 NR =583 8 .9 .20 Ref.Str.: Pekov I.V., Zubkova N.V., Agakhanov A.A., Belakovskiy D.I., Vigasina M.F., Yapaskurt V.O., Sidorov R.G., Britvin S.N., Pushcharovsky D.Y. (2019) * Mineral. Mag., 83, 453-458 L: $Na0.91 Ca0.13 Ti0.5 Fe3+0.27 Al0.2 As1 O4.6 F0.4$ R: Locality - Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. IMA2016-015. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.6979 alpha = 90.0 b = 8.763 beta = 114.81 c = 7.1976 gamma = 90.0 Unit cell volume (cub. angs.) = 383.48 Molar volume ( cub.cm/mol.) = 57.75 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.5 0.1721 0.25 0.0 Na = 0.9 , Ca = 0.1 2 0.0 0.0 0.0 0.0 Ti = 0.5 , Fe = 0.3 , Al = 0.2 3 0.0 0.3166 0.25 0.0 As = 1.00 4 0.0 0.0684 0.75 0.0 O = 0.6 , F = 0.4 5 0.1901 0.4342 0.4163 0.0 O = 1.00 6 0.1047 0.2086 0.1184 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.5 0.1721 0.25 2 2 0.0 0.0 0.0 3 3 0.0 0.3166 0.25 4 4 0.0 0.0684 0.75 5 5 0.1901 0.4342 0.4163 6 6 0.1047 0.2086 0.1184 7 1 0.5 0.8279 0.75 8 3 0.0 0.6834 0.75 9 4 0.0 0.9316 0.25 10 5 0.8099 0.5659 0.5837 11 6 0.8953 0.7914 0.8816 12 2 0.0 0.0 0.5 13 5 0.1901 0.5659 0.9163 14 6 0.1047 0.7914 0.6184 15 5 0.8099 0.4341 0.0837 16 6 0.8953 0.2086 0.3816 17 1 0.0 0.3279 0.75 18 2 0.5 0.5 0.5 19 3 0.5 0.1834 0.75 20 4 0.5 0.4316 0.25 21 5 0.6901 0.0658 0.9163 22 6 0.6047 0.2914 0.6184 23 1 0.0 0.6721 0.25 24 3 0.5 0.8166 0.25 25 4 0.5 0.5684 0.75 26 5 0.3099 0.9341 0.0837 27 6 0.3953 0.7086 0.3816 28 2 0.5 0.5 0.0 29 5 0.6901 0.9341 0.4163 30 6 0.6047 0.7086 0.1184 31 5 0.3099 0.0659 0.5837 32 6 0.3953 0.2914 0.8816 X-ray density (g/cm cub.) = 3.93 MU (1/cm) = 327.182 Mass attenuation coefficient (cm**2/g) = 83.272 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na ,Ca 2.88 7 2.4301 6 2.4301 6 2.274 4 2.6561 6 2.4745 5 2.4745 5 2.6561 6 2 Ti ,Fe ,Al 2.592 6 1.8966 4 2.0146 6 1.8966 4 2.0146 6 1.9888 5 1.9888 5 3 As 2.46 4 1.6839 5 1.6859 6 1.6839 5 1.6859 6 4 O ,F 3.264 10 2.7336 6 2.7999 6 2.7999 6 2.7336 6 2.7976 5 3.1018 6 2.6978 5 2.6978 5 2.7976 5 3.1018 6 5 O 3.264 7 2.7931 6 2.6647 5 2.7301 6 2.7976 4 2.829 6 2.6978 4 2.8327 6 6 O 3.264 9 2.7336 4 2.7931 5 2.7999 4 2.7301 5 2.7902 6 3.1018 4 2.829 5 2.8327 5 3.1627 6 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 1 0 8.87 17.741 0.1 81.18 4 27.8 170.8 2 1 1 -1 9.124 18.248 0.103 76.61 4 84.9 1502.9 3 0 2 0 10.125 20.251 0.114 61.8 2 18.2 27.9 4 0 2 1 12.22 24.441 0.137 41.76 4 73.0 604.8 5 1 1 1 12.948 25.897 0.145 36.97 4 90.9 830.9 6 1 1 -2 13.476 26.953 0.151 33.98 4 145.0 1943.5 7 0 0 2 13.638 27.277 0.153 33.13 2 77.2 268.3 8 2 0 0 14.678 29.356 0.164 28.33 2 215.2 1784.3 9 2 0 -2 15.305 30.609 0.171 25.9 2 102.5 369.8 10 2 2 -1 16.842 33.684 0.188 21.06 4 85.2 415.5 11 1 3 0 17.011 34.022 0.19 20.61 4 173.7 1691.1 12 0 2 2 17.105 34.209 0.191 20.37 4 148.9 1228.4 13 1 3 -1 17.151 34.301 0.191 20.25 4 11.2 7.0 14 2 2 0 17.963 35.926 0.2 18.3 4 41.4 85.3 15 2 2 -2 18.49 36.98 0.206 17.17 4 66.5 206.8 16 1 1 2 18.855 37.71 0.21 16.45 4 51.2 117.4 17 1 1 -3 19.486 38.972 0.217 15.29 4 1.0 0.0 18 1 3 1 19.554 39.108 0.217 15.18 4 104.6 451.8 19 1 3 -2 19.924 39.847 0.221 14.56 4 85.3 288.3 20 0 4 0 20.586 41.171 0.228 13.54 2 50.8 47.5 21 3 1 -1 21.005 42.01 0.233 12.94 4 2.9 0.3 22 3 1 -2 21.354 42.707 0.236 12.47 4 105.7 379.3 23 2 2 1 21.479 42.958 0.238 12.31 4 12.9 5.6 24 0 4 1 21.768 43.535 0.241 11.94 4 1.9 0.1 25 2 2 -3 22.383 44.767 0.247 11.22 4 94.9 274.6 26 3 1 0 22.961 45.922 0.253 10.59 4 50.6 73.6 27 0 2 3 23.264 46.528 0.256 10.28 4 44.2 54.6 28 3 1 -3 23.927 47.853 0.263 9.65 4 51.1 68.4 29 1 3 2 24.063 48.126 0.265 9.52 4 66.8 115.6 30 2 0 2 24.345 48.69 0.268 9.27 2 114.1 164.2 31 1 3 -3 24.585 49.169 0.27 9.07 4 30.5 22.9 32 2 4 -1 24.854 49.709 0.273 8.85 4 49.8 59.7 33 0 4 2 25.046 50.092 0.275 8.69 4 79.0 147.5 34 2 0 -4 25.573 51.146 0.28 8.29 2 183.5 379.8 35 1 1 3 25.583 51.167 0.28 8.28 4 32.3 23.5 36 2 4 0 25.683 51.366 0.281 8.21 4 36.8 30.2 37 3 3 -1 25.864 51.727 0.283 8.08 4 46.6 47.7 38 2 4 -2 26.082 52.164 0.285 7.93 4 97.5 205.0 39 3 3 -2 26.162 52.324 0.286 7.87 4 87.6 164.3 40 1 1 -4 26.28 52.561 0.287 7.79 4 45.2 43.3 41 2 2 2 26.625 53.25 0.291 7.56 4 150.3 464.8 42 3 1 1 26.828 53.656 0.293 7.43 4 57.9 67.9 43 1 5 0 27.22 54.439 0.297 7.19 4 21.3 8.8 44 1 5 -1 27.316 54.632 0.298 7.14 4 5.9 0.7 45 4 0 -2 27.426 54.851 0.299 7.07 2 39.6 15.1 46 3 3 0 27.555 55.11 0.3 7.0 4 188.6 677.1 47 2 2 -4 27.781 55.562 0.303 6.87 4 13.4 3.3 48 0 0 4 28.137 56.274 0.306 6.67 2 136.8 169.8 49 3 1 -4 28.26 56.521 0.307 6.61 4 1.4 0.0 50 3 3 -3 28.405 56.811 0.309 6.53 4 7.2 0.9 51 2 4 1 28.439 56.879 0.309 6.51 4 46.8 38.8 52 1 5 1 29.041 58.082 0.315 6.21 4 43.4 31.9 53 2 4 -3 29.181 58.363 0.316 6.14 4 39.0 25.4 54 1 5 -2 29.317 58.634 0.318 6.08 4 162.8 438.5 55 4 2 -2 29.538 59.077 0.32 5.98 4 119.5 232.2 56 1 3 3 29.886 59.773 0.323 5.82 4 44.7 31.7 57 0 4 3 29.915 59.831 0.324 5.81 4 91.9 133.5 58 4 2 -1 30.098 60.197 0.326 5.73 4 47.1 34.5 59 0 2 4 30.218 60.435 0.327 5.68 4 4.2 0.3 60 4 0 0 30.449 60.897 0.329 5.59 2 153.3 178.5 61 1 3 -4 30.517 61.034 0.33 5.56 4 185.3 519.3 62 4 2 -3 30.815 61.631 0.333 5.44 4 43.4 27.8 63 3 3 1 31.015 62.03 0.334 5.36 4 49.5 35.7 64 0 6 0 31.831 63.661 0.342 5.06 2 104.5 75.2 65 4 0 -4 31.864 63.728 0.343 5.05 2 224.5 346.2 66 3 1 2 32.138 64.275 0.345 4.96 4 94.0 119.2 67 3 3 -4 32.329 64.659 0.347 4.9 4 137.9 253.2 68 4 2 0 32.439 64.877 0.348 4.86 4 11.3 1.7 69 1 5 2 32.575 65.15 0.349 4.82 4 142.0 264.2 70 0 6 1 32.713 65.425 0.351 4.77 4 39.9 20.7 71 2 4 2 32.807 65.614 0.352 4.74 4 54.1 37.8 72 2 2 3 32.923 65.845 0.353 4.71 4 58.7 44.1 73 1 1 4 32.979 65.958 0.353 4.69 4 6.3 0.5 74 1 5 -3 33.005 66.01 0.354 4.68 4 48.8 30.4 75 1 1 -5 33.746 67.493 0.361 4.47 4 38.2 17.8 76 4 2 -4 33.808 67.615 0.361 4.45 4 18.7 4.2 77 2 4 -4 33.831 67.661 0.361 4.44 4 25.3 7.7 78 3 1 -5 33.937 67.874 0.362 4.42 4 68.2 55.9 79 3 5 -1 34.076 68.152 0.364 4.38 4 58.4 40.6 80 2 2 -5 34.282 68.564 0.366 4.32 4 20.2 4.8 81 3 5 -2 34.329 68.657 0.366 4.31 4 161.2 304.9 82 2 6 -1 35.134 70.269 0.374 4.11 4 66.4 49.3 83 0 6 2 35.29 70.58 0.375 4.08 4 40.8 18.5 84 4 4 -2 35.413 70.825 0.376 4.05 4 68.5 51.7 85 3 5 0 35.525 71.049 0.377 4.02 4 67.5 49.8 86 5 1 -2 35.624 71.249 0.378 4.0 4 56.3 34.5 87 2 6 0 35.811 71.623 0.38 3.96 4 134.9 196.1 88 4 4 -1 35.923 71.845 0.381 3.94 4 81.8 71.7 89 3 3 2 35.958 71.916 0.381 3.93 4 33.6 12.1 90 0 4 4 36.032 72.063 0.382 3.91 4 13.3 1.9 91 5 1 -3 36.037 72.074 0.382 3.91 4 54.0 31.1 92 2 6 -2 36.141 72.282 0.383 3.89 4 11.1 1.3 93 3 5 -3 36.267 72.533 0.384 3.86 4 12.4 1.6 94 4 2 1 36.376 72.752 0.385 3.84 4 66.6 46.4 95 4 4 -3 36.58 73.159 0.387 3.8 4 32.4 10.9 96 1 3 4 36.757 73.514 0.388 3.77 4 155.9 248.9 97 5 1 -1 36.884 73.768 0.39 3.74 4 30.4 9.4 98 1 3 -5 37.49 74.979 0.395 3.63 4 50.2 24.9 99 1 5 3 37.578 75.157 0.396 3.62 4 40.1 15.8 100 3 3 -5 37.672 75.344 0.397 3.6 4 52.8 27.3 101 0 2 5 37.962 75.924 0.399 3.55 4 61.3 36.3 102 4 4 0 38.083 76.165 0.4 3.53 4 13.3 1.7 103 5 1 -4 38.1 76.2 0.401 3.53 4 24.5 5.7 104 2 6 1 38.135 76.27 0.401 3.52 4 10.5 1.0 105 1 5 -4 38.144 76.288 0.401 3.52 4 72.0 49.7 106 4 2 -5 38.325 76.65 0.403 3.49 4 51.1 24.8 107 2 0 4 38.461 76.921 0.404 3.47 2 168.1 133.3 108 2 4 3 38.535 77.07 0.404 3.46 4 13.0 1.6 109 3 5 1 38.594 77.188 0.405 3.45 4 29.0 7.9 110 3 1 3 38.65 77.299 0.405 3.44 4 70.4 46.4 111 2 6 -3 38.778 77.557 0.407 3.42 4 75.8 53.4 112 1 7 0 38.919 77.837 0.408 3.4 4 28.5 7.5 113 1 7 -1 38.999 77.998 0.408 3.39 4 54.0 26.9 114 5 3 -2 39.295 78.589 0.411 3.35 4 56.7 29.3 115 4 4 -4 39.366 78.733 0.412 3.34 4 33.4 10.1 116 0 6 3 39.422 78.843 0.412 3.33 4 49.6 22.3 117 5 3 -3 39.694 79.387 0.415 3.29 4 68.5 42.0 118 5 1 0 39.757 79.513 0.415 3.29 4 13.5 1.6 119 3 5 -4 39.793 79.586 0.415 3.28 4 22.0 4.3 120 2 4 -5 39.815 79.629 0.416 3.28 4 47.0 19.7 121 4 0 2 39.971 79.941 0.417 3.26 2 99.9 44.2 122 2 0 -6 40.059 80.118 0.418 3.25 2 73.3 23.7 123 2 2 4 40.267 80.533 0.42 3.22 4 11.7 1.2 124 1 7 1 40.46 80.92 0.421 3.2 4 49.2 21.1 125 5 3 -1 40.515 81.031 0.422 3.19 4 18.4 2.9 126 1 7 -2 40.698 81.395 0.423 3.17 4 16.3 2.3 127 3 1 -6 40.801 81.602 0.424 3.16 4 46.4 18.5 128 1 1 5 41.203 82.406 0.428 3.12 4 28.6 6.9 129 5 3 -4 41.701 83.402 0.432 3.07 4 121.0 122.1 130 5 1 -5 41.737 83.473 0.432 3.06 4 55.8 25.9 131 4 2 2 41.76 83.521 0.432 3.06 4 91.1 69.1 132 4 4 1 41.812 83.623 0.433 3.06 4 22.3 4.1 133 2 2 -6 41.848 83.696 0.433 3.05 4 123.4 126.5 134 2 6 2 42.02 84.041 0.435 3.04 4 32.3 8.6 135 1 1 -6 42.071 84.141 0.435 3.03 4 71.5 42.1 136 3 3 3 42.239 84.478 0.436 3.02 4 26.1 5.6 137 4 0 -6 42.499 84.999 0.439 2.99 2 72.2 21.2 138 2 6 -4 42.964 85.928 0.442 2.96 4 111.9 100.7 139 3 5 2 43.189 86.378 0.444 2.94 4 92.6 68.6 140 5 3 0 43.327 86.653 0.445 2.93 4 139.6 155.4 141 0 4 5 43.344 86.688 0.446 2.93 4 37.0 10.9 142 1 7 2 43.585 87.171 0.448 2.91 4 75.0 44.6 143 4 4 -5 43.697 87.395 0.448 2.9 4 1.5 0.0 144 1 5 4 43.953 87.907 0.451 2.89 4 52.8 21.9 145 1 7 -3 43.977 87.955 0.451 2.89 4 38.2 11.5 146 6 0 -2 44.028 88.056 0.451 2.88 2 87.4 30.0 147 5 1 1 44.172 88.345 0.452 2.87 4 29.5 6.8 148 4 2 -6 44.273 88.547 0.453 2.87 4 93.4 68.0 149 3 3 -6 44.358 88.715 0.454 2.86 4 45.3 16.0 150 4 6 -2 44.445 88.889 0.455 2.86 4 42.8 14.3 151 1 5 -5 44.659 89.317 0.456 2.85 4 38.8 11.7 152 0 8 0 44.685 89.37 0.456 2.84 2 85.6 28.4 153 1 3 5 44.756 89.512 0.457 2.84 4 3.8 0.1 154 3 5 -5 44.835 89.67 0.458 2.84 4 23.3 4.2 155 4 6 -1 44.928 89.856 0.458 2.83 4 51.4 20.3 156 3 7 -1 44.964 89.927 0.459 2.83 4 35.9 9.9 157 6 0 -4 44.968 89.935 0.459 2.83 2 131.1 66.1 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 1 0 8.87 17.741 4.99535 170.8 8.8 8.8 5.6 2 1 1 -1 9.124 18.248 4.85768 1502.9 77.3 77.8 5.6 3 0 2 0 10.125 20.251 4.3815 27.9 1.4 1.4 5.6 4 0 2 1 12.22 24.441 3.63898 604.8 31.1 31.2 5.6 5 1 1 1 12.948 25.897 3.4376 830.9 42.8 42.8 5.6 6 1 1 -2 13.476 26.953 3.30528 1943.5 100.0 100.0 5.6 7 0 0 2 13.638 27.277 3.26678 268.3 13.8 13.8 5.6 8 2 0 0 14.678 29.356 3.03998 1784.3 91.8 91.6 5.6 9 2 0 -2 15.305 30.609 2.91826 369.8 19.0 19.0 5.6 10 2 2 -1 16.842 33.684 2.6586 415.5 21.4 21.3 5.7 11 1 3 0 17.011 34.022 2.63291 1691.1 87.0 86.5 5.7 12 0 2 2 17.105 34.209 2.61896 1228.4 63.2 62.8 5.7 13 2 2 0 17.963 35.926 2.49768 85.3 4.4 4.4 5.7 14 2 2 -2 18.49 36.98 2.42884 206.8 10.6 10.5 5.7 15 1 1 2 18.855 37.71 2.38349 117.4 6.0 6.0 5.7 16 1 3 1 19.554 39.108 2.30142 451.8 23.2 23.0 5.7 17 1 3 -2 19.924 39.847 2.26042 288.3 14.8 14.7 5.7 18 0 4 0 20.586 41.171 2.19075 47.5 2.4 2.4 5.7 19 3 1 -2 21.354 42.707 2.11544 379.3 19.5 19.2 5.7 20 2 2 -3 22.383 44.767 2.02279 274.6 14.1 13.9 5.7 21 3 1 0 22.961 45.922 1.97453 73.6 3.8 3.7 5.7 22 0 2 3 23.264 46.528 1.95022 54.6 2.8 2.8 5.7 23 3 1 -3 23.927 47.853 1.89926 68.4 3.5 3.5 5.7 24 1 3 2 24.063 48.126 1.88913 115.6 6.0 5.8 5.7 25 2 0 2 24.345 48.69 1.86858 164.2 8.4 8.3 5.7 26 1 3 -3 24.585 49.169 1.85146 22.9 1.2 1.2 5.7 27 2 4 -1 24.854 49.709 1.83263 59.7 3.1 3.0 5.7 28 0 4 2 25.046 50.092 1.81949 147.5 7.6 7.4 5.7 29 2 0 -4 25.573 51.146 1.78444 403.3 20.7 20.3 5.8 30 2 4 0 25.683 51.366 1.77732 30.2 1.6 1.5 5.8 31 3 3 -1 25.864 51.727 1.76576 47.7 2.5 2.4 5.8 32 2 4 -2 26.082 52.164 1.75201 205.0 10.5 10.3 5.8 33 3 3 -2 26.162 52.324 1.74703 164.3 8.5 8.2 5.8 34 1 1 -4 26.28 52.561 1.73971 43.3 2.2 2.2 5.8 35 2 2 2 26.625 53.25 1.7188 464.8 23.9 23.3 5.8 36 3 1 1 26.828 53.656 1.70676 67.9 3.5 3.4 5.8 37 3 3 0 27.555 55.11 1.66512 677.1 34.8 33.8 5.8 38 0 0 4 28.137 56.274 1.63339 169.8 8.7 8.5 5.8 39 2 4 1 28.439 56.879 1.61746 38.8 2.0 1.9 5.8 40 1 5 1 29.041 58.082 1.58678 31.9 1.6 1.6 5.8 41 2 4 -3 29.181 58.363 1.57982 25.4 1.3 1.3 5.8 42 1 5 -2 29.317 58.634 1.57315 438.5 22.6 21.8 5.8 43 4 2 -2 29.538 59.077 1.56241 232.2 11.9 11.5 5.8 44 0 4 3 29.915 59.831 1.54451 165.2 8.5 8.2 5.8 45 4 2 -1 30.098 60.197 1.536 34.5 1.8 1.7 5.8 46 4 0 0 30.449 60.897 1.51999 178.5 9.2 8.8 5.8 47 1 3 -4 30.517 61.034 1.51692 519.3 26.7 25.7 5.8 48 4 2 -3 30.815 61.631 1.50365 27.8 1.4 1.4 5.8 49 3 3 1 31.015 62.03 1.49493 35.7 1.8 1.8 5.8 50 0 6 0 31.831 63.661 1.4605 75.2 3.9 3.7 5.9 51 4 0 -4 31.864 63.728 1.45913 346.2 17.8 17.1 5.9 52 3 1 2 32.138 64.275 1.44801 119.2 6.1 5.9 5.9 53 3 3 -4 32.329 64.659 1.44035 253.2 13.0 12.5 5.9 54 1 5 2 32.575 65.15 1.43067 264.2 13.6 13.0 5.9 55 0 6 1 32.713 65.425 1.42532 20.7 1.1 1.0 5.9 56 2 4 2 32.807 65.614 1.42168 37.8 1.9 1.9 5.9 57 2 2 3 32.923 65.845 1.41724 44.1 2.3 2.2 5.9 58 1 5 -3 33.005 66.01 1.4141 30.4 1.6 1.5 5.9 59 3 1 -5 33.937 67.874 1.37973 55.9 2.9 2.7 5.9 60 3 5 -1 34.076 68.152 1.37479 40.6 2.1 2.0 5.9 61 3 5 -2 34.329 68.657 1.3659 304.9 15.7 14.9 5.9 62 2 6 -1 35.134 70.269 1.33846 49.3 2.5 2.4 5.9 63 4 4 -2 35.413 70.825 1.3293 51.7 2.7 2.5 5.9 64 3 5 0 35.525 71.049 1.32566 49.8 2.6 2.4 5.9 65 5 1 -2 35.624 71.249 1.32244 34.5 1.8 1.7 5.9 66 2 6 0 35.811 71.623 1.31645 196.1 10.1 9.5 5.9 67 4 4 -1 35.923 71.845 1.31292 71.7 3.7 3.5 5.9 68 5 1 -3 36.037 72.074 1.30932 33.0 1.7 1.6 5.9 69 4 2 1 36.376 72.752 1.29877 46.4 2.4 2.3 6.0 70 1 3 4 36.757 73.514 1.28718 248.9 12.8 12.1 6.0 71 1 3 -5 37.49 74.979 1.26562 24.9 1.3 1.2 6.0 72 3 3 -5 37.672 75.344 1.26039 27.3 1.4 1.3 6.0 73 0 2 5 37.962 75.924 1.25221 36.3 1.9 1.8 6.0 74 1 5 -4 38.144 76.288 1.24714 50.7 2.6 2.4 6.0 75 4 2 -5 38.325 76.65 1.24214 24.8 1.3 1.2 6.0 76 2 0 4 38.461 76.921 1.23844 133.3 6.9 6.4 6.0 77 3 1 3 38.65 77.299 1.23332 46.4 2.4 2.2 6.0 78 2 6 -3 38.778 77.557 1.22987 53.4 2.7 2.6 6.0 79 1 7 -1 38.999 77.998 1.22402 26.9 1.4 1.3 6.0 80 5 3 -2 39.295 78.589 1.21628 29.3 1.5 1.4 6.0 81 0 6 3 39.422 78.843 1.21299 22.3 1.1 1.1 6.0 82 5 3 -3 39.694 79.387 1.20604 42.0 2.2 2.0 6.0 83 2 4 -5 39.815 79.629 1.20299 24.1 1.2 1.2 6.0 84 4 0 2 39.971 79.941 1.19908 44.2 2.3 2.1 6.0 85 2 0 -6 40.059 80.118 1.19687 23.7 1.2 1.1 6.0 86 1 7 1 40.46 80.92 1.18703 21.1 1.1 1.0 6.1 87 5 3 -4 41.701 83.402 1.15789 122.1 6.3 5.8 6.1 88 4 2 2 41.76 83.521 1.15655 95.1 4.9 4.5 6.1 89 2 2 -6 41.848 83.696 1.15457 126.5 6.5 6.0 6.1 90 1 1 -6 42.071 84.141 1.14959 42.1 2.2 2.0 6.1 91 4 0 -6 42.499 84.999 1.14017 21.2 1.1 1.0 6.1 92 2 6 -4 42.964 85.928 1.13021 100.7 5.2 4.7 6.1 93 3 5 2 43.189 86.378 1.12547 68.6 3.5 3.2 6.1 94 5 3 0 43.327 86.653 1.1226 166.3 8.6 7.8 6.1 95 1 7 2 43.585 87.171 1.11726 44.6 2.3 2.1 6.2 96 1 5 4 43.953 87.907 1.10979 33.4 1.7 1.6 6.2 97 6 0 -2 44.028 88.056 1.10831 30.0 1.5 1.4 6.2 98 4 2 -6 44.273 88.547 1.10342 68.0 3.5 3.2 6.2 99 0 8 0 44.685 89.37 1.09538 40.0 2.1 1.9 6.2 100 4 6 -1 44.928 89.856 1.09071 20.3 1.0 0.9 6.2 101 6 0 -4 44.968 89.935 1.08995 76.0 3.9 3.5 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) |