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 *** *********************** SARCOPSIDE 6, Zn, analogue (Fe,Zn)(3)[PO(4)](2) Monoclinic P 2(1)/a Z = 2 R =0.18 NR =580 21 .1 .1991 Ref.Str.: Kabalov Yu.K., Simonov M.A., Belov N.B. et al. (1973) * Dokl. Akad. Nauk SSSR, 210, 830-832 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.404 alpha = 90.0 b = 4.771 beta = 91.12 c = 6.006 gamma = 90.0 Unit cell volume (cub. angs.) = 298.07 Molar volume ( cub.cm/mol.) = 89.77 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.34 Fe = 0.76, Zn = 0.24 2 0.283 0.981 0.266 0.09 Fe = 0.76, Zn = 0.24 3 0.101 0.434 0.239 0.07 P = 1.00 4 0.16 0.282 0.027 0.17 O = 1.00 5 0.181 0.316 0.427 0.55 O = 1.00 6 0.1 0.756 0.226 0.51 O = 1.00 7 0.463 0.179 0.25 0.44 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.283 0.981 0.266 3 3 0.101 0.434 0.239 4 4 0.16 0.282 0.027 5 5 0.181 0.316 0.427 6 6 0.1 0.756 0.226 7 7 0.463 0.179 0.25 8 2 0.717 0.019 0.734 9 3 0.899 0.566 0.761 10 4 0.84 0.718 0.973 11 5 0.819 0.684 0.573 12 6 0.9 0.244 0.774 13 7 0.537 0.821 0.75 14 1 0.5 0.5 0.0 15 2 0.783 0.519 0.266 16 3 0.601 0.066 0.239 17 4 0.66 0.218 0.027 18 5 0.681 0.184 0.427 19 6 0.6 0.744 0.226 20 7 0.963 0.321 0.25 21 2 0.217 0.481 0.734 22 3 0.399 0.934 0.761 23 4 0.34 0.782 0.973 24 5 0.319 0.816 0.573 25 6 0.4 0.256 0.774 26 7 0.037 0.679 0.75 X-ray density (g/cm cub.) = 4.06 MU (1/cm) = 178.922 Mass attenuation coefficient (cm**2/g) = 44.089 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Zn 2.628 6 2.144 4 2.0554 6 2.144 4 2.0554 6 2.1842 7 2.1842 7 2 Fe ,Zn 2.628 6 2.3851 4 2.1577 5 2.1948 6 2.1014 7 2.0954 4 2.0329 5 3 P 2.232 4 1.5983 4 1.4993 5 1.5383 6 1.5363 7 4 O 3.264 9 2.4135 5 2.6385 6 2.854 6 3.0819 6 2.4772 7 3.054 4 3.054 4 2.9508 6 2.8124 7 5 O 3.264 9 2.4135 4 2.5563 6 3.044 6 3.2074 7 2.4861 7 2.9106 5 2.9106 5 3.071 6 3.0201 7 6 O 3.264 11 2.854 4 2.6385 4 3.044 5 2.5563 5 3.0819 4 3.054 7 2.5234 7 2.9508 4 3.071 5 3.248 7 2.9435 7 7 O 3.264 9 3.2074 5 2.4772 4 2.4861 5 3.054 6 2.5234 6 2.8124 4 3.0201 5 3.248 6 2.9435 6 X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 0 1 8.566 17.133 0.083 87.2 2 51.3 516.2 2 2 0 0 9.903 19.806 0.096 64.7 2 21.8 69.5 3 1 1 0 11.903 23.806 0.115 44.13 4 27.6 151.0 4 2 0 -1 13.021 26.042 0.126 36.54 2 98.2 793.8 5 2 0 1 13.28 26.56 0.128 35.05 2 26.8 56.8 6 0 1 1 13.854 27.708 0.134 32.04 4 21.3 65.7 7 1 1 -1 14.681 29.362 0.142 28.32 4 108.7 1506.8 8 2 1 0 14.739 29.477 0.142 28.08 4 28.8 104.7 9 1 1 1 14.798 29.595 0.143 27.84 4 15.1 28.7 10 2 1 -1 17.044 34.088 0.164 20.52 4 15.6 22.6 11 2 1 1 17.248 34.495 0.166 20.0 4 22.7 46.3 12 0 0 2 17.332 34.665 0.167 19.79 2 96.8 417.1 13 3 1 0 18.596 37.192 0.178 16.96 4 112.3 962.7 14 2 0 -2 19.942 39.884 0.191 14.53 2 73.2 175.1 15 4 0 0 20.118 40.236 0.192 14.25 2 42.0 56.7 16 2 0 2 20.297 40.594 0.194 13.97 2 49.1 75.8 17 3 1 -1 20.477 40.954 0.196 13.7 4 61.4 232.4 18 0 1 2 20.609 41.219 0.197 13.5 4 11.1 7.5 19 3 1 1 20.738 41.476 0.198 13.32 4 129.7 1009.0 20 1 1 -2 21.159 42.318 0.202 12.73 4 78.2 350.2 21 1 1 2 21.329 42.658 0.203 12.5 4 106.0 632.2 22 4 0 -1 21.848 43.696 0.208 11.85 2 86.5 199.7 23 0 2 0 22.022 44.043 0.21 11.64 2 79.2 164.4 24 4 0 1 22.178 44.356 0.211 11.45 2 46.6 55.9 25 1 2 0 22.625 45.249 0.215 10.95 4 54.6 146.8 26 2 1 -2 22.904 45.809 0.218 10.65 4 31.1 46.3 27 4 1 0 23.062 46.125 0.219 10.48 4 59.8 169.1 28 2 1 2 23.223 46.446 0.22 10.32 4 38.2 67.9 29 0 2 1 23.795 47.589 0.226 9.77 4 24.2 25.7 30 1 2 -1 24.325 48.65 0.23 9.29 4 44.7 83.6 31 2 2 0 24.363 48.726 0.231 9.26 4 24.5 25.0 32 1 2 1 24.402 48.803 0.231 9.22 4 32.9 44.9 33 4 1 -1 24.626 49.253 0.233 9.03 4 3.4 0.5 34 4 1 1 24.928 49.856 0.236 8.79 4 4.4 0.8 35 3 1 -2 25.655 51.309 0.242 8.23 4 4.2 0.7 36 2 2 -1 25.941 51.882 0.245 8.03 4 19.3 13.5 37 2 2 1 26.086 52.173 0.246 7.92 4 70.3 176.4 38 3 1 2 26.093 52.186 0.246 7.92 4 8.8 2.8 39 0 0 3 26.543 53.086 0.25 7.62 2 58.0 57.7 40 4 0 -2 26.783 53.566 0.252 7.46 2 11.6 2.3 41 3 2 0 27.073 54.146 0.254 7.28 4 0.4 0.0 42 4 0 2 27.349 54.699 0.257 7.12 2 2.9 0.1 43 5 1 0 27.972 55.944 0.262 6.76 4 4.9 0.7 44 2 0 -3 28.403 56.806 0.266 6.53 2 16.3 3.9 45 3 2 -1 28.51 57.02 0.267 6.48 4 2.3 0.2 46 0 2 2 28.614 57.227 0.268 6.42 4 53.5 82.7 47 3 2 1 28.715 57.429 0.269 6.37 4 12.3 4.3 48 2 0 3 28.813 57.625 0.269 6.32 2 1.6 0.0 49 0 1 3 28.986 57.973 0.271 6.24 4 18.1 9.2 50 1 2 -2 29.047 58.094 0.271 6.21 4 18.3 9.4 51 1 2 2 29.182 58.364 0.273 6.14 4 16.4 7.4 52 4 1 -2 29.213 58.426 0.273 6.13 4 3.6 0.4 53 5 1 -1 29.313 58.626 0.274 6.08 4 95.9 252.0 54 1 1 -3 29.383 58.766 0.274 6.05 4 23.3 14.8 55 1 1 3 29.584 59.168 0.276 5.96 4 94.5 239.5 56 5 1 1 29.648 59.295 0.277 5.93 4 1.5 0.1 57 4 1 2 29.749 59.497 0.277 5.88 4 0.5 0.0 58 2 2 -2 30.456 60.911 0.283 5.58 4 122.7 378.6 59 4 2 0 30.585 61.171 0.284 5.53 4 82.2 168.4 60 2 2 2 30.718 61.435 0.286 5.48 4 109.9 297.7 61 2 1 -3 30.749 61.499 0.286 5.46 4 49.3 59.7 62 6 0 0 31.06 62.12 0.288 5.34 2 4.6 0.3 63 2 1 3 31.14 62.28 0.289 5.31 4 17.2 7.1 64 4 2 -1 31.89 63.779 0.295 5.04 4 107.7 263.2 65 4 2 1 32.145 64.29 0.297 4.96 4 30.6 20.8 66 6 0 -1 32.29 64.58 0.299 4.91 2 72.9 58.7 67 6 0 1 32.67 65.34 0.302 4.79 2 144.7 225.6 68 3 2 -2 32.765 65.529 0.303 4.76 4 8.2 1.4 69 3 1 -3 33.016 66.031 0.305 4.68 4 124.6 327.1 70 3 2 2 33.142 66.284 0.306 4.64 4 1.3 0.0 71 6 1 0 33.294 66.589 0.307 4.6 4 2.0 0.1 72 5 1 -2 33.445 66.889 0.308 4.55 4 51.7 54.9 73 3 1 3 33.578 67.157 0.309 4.52 4 33.3 22.5 74 4 0 -3 33.956 67.912 0.312 4.41 2 32.9 10.8 75 5 1 2 34.066 68.131 0.313 4.38 4 68.1 91.6 76 6 1 -1 34.482 68.964 0.316 4.27 4 23.6 10.7 77 1 3 0 34.678 69.357 0.318 4.22 4 34.5 22.6 78 4 0 3 34.696 69.391 0.318 4.22 2 131.5 164.4 79 5 2 0 34.784 69.567 0.319 4.2 4 14.8 4.1 80 6 1 1 34.85 69.7 0.319 4.18 4 3.7 0.3 81 0 3 1 35.579 71.158 0.325 4.01 4 14.4 3.7 82 0 2 3 35.686 71.371 0.326 3.99 4 43.5 33.9 83 4 2 -2 35.889 71.777 0.328 3.94 4 3.1 0.2 84 5 2 -1 35.978 71.956 0.328 3.92 4 29.1 15.0 85 1 3 -1 35.995 71.991 0.329 3.92 4 89.2 140.3 86 2 3 0 36.025 72.05 0.329 3.91 4 39.5 27.5 87 1 2 -3 36.041 72.082 0.329 3.91 4 25.5 11.4 88 1 3 1 36.056 72.111 0.329 3.91 4 24.6 10.6 89 4 1 -3 36.099 72.198 0.329 3.9 4 1.8 0.1 90 6 0 -2 36.207 72.414 0.33 3.88 2 108.0 101.7 91 1 2 3 36.222 72.444 0.33 3.87 4 17.9 5.6 92 5 2 1 36.279 72.559 0.331 3.86 4 31.1 16.8 93 4 2 2 36.371 72.741 0.331 3.84 4 25.2 11.0 94 0 0 4 36.571 73.143 0.333 3.8 2 157.2 211.6 95 4 1 3 36.819 73.639 0.335 3.75 4 15.1 3.8 96 6 0 2 36.927 73.853 0.336 3.73 2 105.8 94.0 97 2 2 -3 37.278 74.557 0.339 3.67 4 17.8 5.3 98 2 3 -1 37.293 74.585 0.339 3.67 4 37.7 23.5 99 2 3 1 37.412 74.823 0.34 3.64 4 28.9 13.7 100 2 2 3 37.635 75.27 0.341 3.61 4 19.4 6.1 101 2 0 -4 38.091 76.182 0.345 3.53 2 28.4 6.4 102 3 3 0 38.227 76.453 0.346 3.51 4 60.3 57.4 103 6 1 -2 38.297 76.595 0.346 3.5 4 8.4 1.1 104 2 0 4 38.563 77.125 0.348 3.45 2 26.5 5.5 105 0 1 4 38.655 77.309 0.349 3.44 4 2.2 0.1 106 1 1 -4 38.971 77.942 0.352 3.39 4 22.5 7.7 107 6 1 2 39.003 78.006 0.352 3.39 4 3.2 0.2 108 7 1 0 39.083 78.166 0.352 3.38 4 100.0 152.0 109 1 1 4 39.205 78.411 0.353 3.36 4 41.2 25.6 110 3 2 -3 39.367 78.735 0.355 3.34 4 12.4 2.3 111 3 3 -1 39.44 78.88 0.355 3.33 4 37.7 21.3 112 0 3 2 39.529 79.057 0.356 3.32 4 11.9 2.1 113 3 3 1 39.615 79.231 0.356 3.3 4 98.4 144.1 114 6 2 0 39.628 79.255 0.357 3.3 4 16.3 3.9 115 5 2 -2 39.768 79.536 0.358 3.28 4 1.2 0.0 116 3 2 3 39.893 79.786 0.359 3.27 4 27.0 10.8 117 1 3 -2 39.901 79.802 0.359 3.27 4 27.1 10.8 118 5 1 -3 39.942 79.884 0.359 3.26 4 23.4 8.0 119 1 3 2 40.018 80.036 0.359 3.25 4 65.1 62.1 120 2 1 -4 40.148 80.297 0.36 3.24 4 1.4 0.0 121 7 1 -1 40.173 80.345 0.361 3.23 4 45.0 29.5 122 5 2 2 40.35 80.701 0.362 3.21 4 11.8 2.0 123 7 1 1 40.58 81.159 0.364 3.19 4 0.6 0.0 124 2 1 4 40.613 81.227 0.364 3.18 4 13.7 2.7 125 6 2 -1 40.742 81.485 0.365 3.17 4 28.9 11.9 126 5 1 3 40.814 81.628 0.365 3.16 4 40.5 23.3 127 6 2 1 41.09 82.181 0.367 3.13 4 83.2 97.4 128 2 3 -2 41.13 82.26 0.368 3.12 4 57.6 46.7 129 4 3 0 41.244 82.489 0.369 3.11 4 22.3 7.0 130 2 3 2 41.361 82.723 0.369 3.1 4 61.6 53.0 131 3 1 -4 42.17 84.341 0.375 3.02 4 53.6 39.1 132 4 2 -3 42.279 84.558 0.376 3.01 4 5.9 0.5 133 4 3 -1 42.408 84.816 0.377 3.0 4 56.2 42.7 134 6 0 -3 42.526 85.051 0.378 2.99 2 137.1 126.7 135 4 3 1 42.638 85.277 0.379 2.98 4 39.6 21.1 136 3 1 4 42.862 85.723 0.38 2.96 4 80.0 85.5 137 4 2 3 42.97 85.94 0.381 2.96 4 86.6 99.8 138 4 0 -4 43.01 86.021 0.381 2.95 2 49.6 16.3 139 3 3 -2 43.201 86.403 0.383 2.94 4 18.5 4.5 140 8 0 0 43.465 86.93 0.385 2.92 2 21.3 3.0 141 3 3 2 43.546 87.092 0.385 2.91 4 38.4 19.4 142 6 0 3 43.561 87.122 0.385 2.91 2 53.9 19.0 143 7 1 -2 43.808 87.616 0.387 2.9 4 29.6 11.4 144 4 0 4 43.93 87.859 0.388 2.89 2 21.5 3.0 145 6 2 -2 44.4 88.8 0.391 2.86 4 55.8 40.1 146 8 0 -1 44.508 89.015 0.392 2.85 2 49.6 15.8 147 6 1 -3 44.542 89.085 0.392 2.85 4 14.3 2.6 148 7 1 2 44.612 89.223 0.393 2.85 4 45.3 26.3 149 0 2 4 44.748 89.496 0.394 2.84 4 77.2 76.3 150 8 0 1 44.967 89.933 0.395 2.83 2 25.2 4.0 X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 0 1 8.566 17.133 6.00485 516.2 34.3 34.6 5.6 2 2 0 0 9.903 19.806 5.20101 69.5 4.6 4.6 5.6 3 1 1 0 11.903 23.806 4.33661 151.0 10.0 10.1 5.6 4 2 0 -1 13.021 26.042 3.96997 793.8 52.7 52.8 5.6 5 2 0 1 13.28 26.56 3.89389 56.8 3.8 3.8 5.6 6 0 1 1 13.854 27.708 3.73548 65.7 4.4 4.4 5.6 7 1 1 -1 14.681 29.362 3.52934 1506.8 100.0 100.0 5.6 8 2 1 0 14.739 29.477 3.51581 104.7 7.0 7.0 5.6 9 1 1 1 14.798 29.595 3.50214 28.7 1.9 1.9 5.6 10 2 1 -1 17.044 34.088 3.05166 22.6 1.5 1.5 5.7 11 2 1 1 17.248 34.495 3.0167 46.3 3.1 3.1 5.7 12 0 0 2 17.332 34.665 3.00243 417.1 27.7 27.6 5.7 13 3 1 0 18.596 37.192 2.80485 962.7 63.9 63.5 5.7 14 2 0 -2 19.942 39.884 2.62255 175.1 11.6 11.5 5.7 15 4 0 0 20.118 40.236 2.6005 56.7 3.8 3.7 5.7 16 2 0 2 20.297 40.594 2.57853 75.8 5.0 5.0 5.7 17 3 1 -1 20.477 40.954 2.55684 232.4 15.4 15.3 5.7 18 3 1 1 20.738 41.476 2.52602 1009.0 67.0 66.2 5.7 19 1 1 -2 21.159 42.318 2.478 350.2 23.2 23.0 5.7 20 1 1 2 21.329 42.658 2.45917 632.2 42.0 41.4 5.7 21 4 0 -1 21.848 43.696 2.40353 199.7 13.3 13.1 5.7 22 0 2 0 22.022 44.043 2.3855 164.4 10.9 10.8 5.7 23 4 0 1 22.178 44.356 2.36951 55.9 3.7 3.7 5.7 24 1 2 0 22.625 45.249 2.32514 146.8 9.7 9.6 5.7 25 2 1 -2 22.904 45.809 2.29822 46.3 3.1 3.0 5.7 26 4 1 0 23.062 46.125 2.28334 169.1 11.2 11.0 5.7 27 2 1 2 23.223 46.446 2.26843 67.9 4.5 4.4 5.7 28 0 2 1 23.795 47.589 2.21697 25.7 1.7 1.7 5.7 29 1 2 -1 24.325 48.65 2.17147 83.6 5.5 5.4 5.7 30 2 2 0 24.363 48.726 2.1683 25.0 1.7 1.6 5.7 31 1 2 1 24.402 48.803 2.16509 44.9 3.0 2.9 5.7 32 2 2 1 26.086 52.173 2.03413 179.1 11.9 11.6 5.8 33 0 0 3 26.543 53.086 2.00162 57.7 3.8 3.7 5.8 34 0 2 2 28.614 57.227 1.86774 82.7 5.5 5.3 5.8 35 5 1 -1 29.313 58.626 1.82701 252.0 16.7 16.2 5.8 36 1 1 3 29.584 59.168 1.81176 239.5 15.9 15.4 5.8 37 2 2 -2 30.456 60.911 1.76467 378.6 25.1 24.3 5.8 38 4 2 0 30.585 61.171 1.75791 168.4 11.2 10.8 5.8 39 2 2 2 30.718 61.435 1.75107 297.7 19.8 19.1 5.8 40 2 1 -3 30.749 61.499 1.74944 59.7 4.0 3.8 5.8 41 4 2 -1 31.89 63.779 1.69314 263.2 17.5 16.8 5.9 42 4 2 1 32.145 64.29 1.68112 20.8 1.4 1.3 5.9 43 6 0 -1 32.29 64.58 1.67438 58.7 3.9 3.7 5.9 44 6 0 1 32.67 65.34 1.65703 225.6 15.0 14.3 5.9 45 3 1 -3 33.016 66.031 1.64161 327.1 21.7 20.8 5.9 46 5 1 -2 33.445 66.889 1.62295 54.9 3.6 3.5 5.9 47 3 1 3 33.578 67.157 1.61725 22.5 1.5 1.4 5.9 48 5 1 2 34.066 68.131 1.59684 91.6 6.1 5.8 5.9 49 4 0 3 34.696 69.391 1.57139 186.9 12.4 11.8 5.9 50 0 2 3 35.686 71.371 1.53335 33.9 2.3 2.1 5.9 51 1 3 -1 35.995 71.991 1.52191 155.3 10.3 9.8 5.9 52 2 3 0 36.025 72.05 1.52082 38.9 2.6 2.4 5.9 53 6 0 -2 36.207 72.414 1.51423 107.3 7.1 6.7 5.9 54 5 2 1 36.279 72.559 1.51162 16.8 1.1 1.1 6.0 55 0 0 4 36.571 73.143 1.50121 211.6 14.0 13.3 6.0 56 6 0 2 36.927 73.853 1.48881 94.0 6.2 5.9 6.0 57 2 3 -1 37.293 74.585 1.47629 28.7 1.9 1.8 6.0 58 3 3 0 38.227 76.453 1.44554 57.4 3.8 3.6 6.0 59 7 1 0 39.083 78.166 1.41878 152.0 10.1 9.4 6.0 60 1 1 4 39.205 78.411 1.41506 25.6 1.7 1.6 6.0 61 3 3 -1 39.44 78.88 1.408 21.3 1.4 1.3 6.0 62 3 3 1 39.615 79.231 1.40279 148.1 9.8 9.2 6.0 63 1 3 -2 39.901 79.802 1.3944 21.5 1.4 1.3 6.0 64 1 3 2 40.018 80.036 1.39102 62.1 4.1 3.8 6.0 65 7 1 -1 40.173 80.345 1.38656 29.5 2.0 1.8 6.0 66 5 1 3 40.814 81.628 1.3685 23.3 1.5 1.4 6.1 67 6 2 1 41.09 82.181 1.36092 97.4 6.5 6.0 6.1 68 2 3 -2 41.13 82.26 1.35984 46.7 3.1 2.9 6.1 69 2 3 2 41.361 82.723 1.35359 53.0 3.5 3.3 6.1 70 3 1 -4 42.17 84.341 1.33236 39.1 2.6 2.4 6.1 71 4 3 -1 42.408 84.816 1.32629 42.7 2.8 2.6 6.1 72 6 0 -3 42.526 85.051 1.32332 126.7 8.4 7.7 6.1 73 4 3 1 42.638 85.277 1.32049 21.1 1.4 1.3 6.1 74 3 1 4 42.862 85.723 1.31494 85.5 5.7 5.2 6.1 75 4 2 3 42.97 85.94 1.31227 99.8 6.6 6.1 6.1 76 4 0 -4 43.01 86.021 1.31127 16.3 1.1 1.0 6.1 77 3 3 2 43.546 87.092 1.29832 38.4 2.6 2.3 6.1 78 6 2 -2 44.4 88.8 1.27842 40.1 2.7 2.4 6.2 79 8 0 -1 44.508 89.015 1.27597 15.8 1.0 1.0 6.2 80 7 1 2 44.612 89.223 1.27362 26.3 1.7 1.6 6.2 81 0 2 4 44.748 89.496 1.27056 76.3 5.1 4.6 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) |