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 *** *********************** TROLLEITE 1 Al(4)(OH)(3)[PO(4)](3) Monoclinic I 2/c Z = 4 R =0.036 NR =2010 24 .5 .1990 Ref.Str.: Moore P.B., Araki T.(1974) * Amer. Mineral., 58, 974-984 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 18.894 alpha = 90.0 b = 7.161 beta = 99.99 c = 7.162 gamma = 90.0 Unit cell volume (cub. angs.) = 954.33 Molar volume ( cub.cm/mol.) = 143.71 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.1678 0.9935 0.3206 0.38 Al = 1.00 2 0.0757 0.2712 0.4171 0.43 Al = 1.00 3 0.0 0.8827 0.25 0.35 P = 1.00 4 0.1684 0.3673 0.0811 0.36 P = 1.00 5 0.0646 0.0117 0.3261 0.6 O = 1.00 6 0.0206 0.7627 0.0958 0.74 O = 1.00 7 0.2374 0.4649 0.1686 0.73 O = 1.00 8 0.1111 0.5084 0.008 0.73 O = 1.00 9 0.1419 0.2455 0.2371 0.56 O = 1.00 10 0.1822 0.2352 0.9245 0.75 O = 1.00 11 0.0 0.3643 0.25 0.62 OH = 1.00 12 0.1614 0.879 0.0697 0.53 OH = 1.00 13 0.0 0.464 0.25 0.0 H = 1.00 14 0.19 0.809 0.72 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.1678 0.9935 0.3206 2 2 0.0757 0.2712 0.4171 3 3 0.0 0.8827 0.25 4 4 0.1684 0.3673 0.0811 5 5 0.0646 0.0117 0.3261 6 6 0.0206 0.7627 0.0958 7 7 0.2374 0.4649 0.1686 8 8 0.1111 0.5084 0.008 9 9 0.1419 0.2455 0.2371 10 10 0.1822 0.2352 0.9245 11 11 0.0 0.3643 0.25 12 12 0.1614 0.879 0.0697 13 13 0.0 0.464 0.25 14 14 0.19 0.809 0.72 15 1 0.8322 0.0065 0.6794 16 2 0.9243 0.7288 0.5829 17 3 0.0 0.1173 0.75 18 4 0.8316 0.6327 0.9189 19 5 0.9354 0.9883 0.6739 20 6 0.9794 0.2373 0.9042 21 7 0.7626 0.5351 0.8314 22 8 0.8889 0.4916 0.992 23 9 0.8581 0.7545 0.7629 24 10 0.8178 0.7648 0.0755 25 11 0.0 0.6357 0.75 26 12 0.8386 0.121 0.9303 27 13 0.0 0.536 0.75 28 14 0.81 0.191 0.28 29 1 0.3322 0.5065 0.1794 30 2 0.4243 0.2288 0.0829 31 3 0.5 0.6173 0.25 32 4 0.3316 0.1327 0.4189 33 5 0.4354 0.4883 0.1739 34 6 0.4794 0.7373 0.4042 35 7 0.2626 0.0351 0.3314 36 8 0.3889 0.9916 0.492 37 9 0.3581 0.2545 0.2629 38 10 0.3178 0.2648 0.5755 39 11 0.5 0.1357 0.25 40 12 0.3386 0.621 0.4303 41 13 0.5 0.036 0.25 42 14 0.31 0.691 0.78 43 1 0.6678 0.4935 0.8206 44 2 0.5757 0.7712 0.9171 45 3 0.5 0.3827 0.75 46 4 0.6684 0.8673 0.5811 47 5 0.5646 0.5117 0.8261 48 6 0.5206 0.2627 0.5958 49 7 0.7374 0.9649 0.6686 50 8 0.6111 0.0084 0.508 51 9 0.6419 0.7455 0.7371 52 10 0.6822 0.7352 0.4245 53 11 0.5 0.8643 0.75 54 12 0.6614 0.379 0.5697 55 13 0.5 0.964 0.75 56 14 0.69 0.309 0.22 57 1 0.1678 0.0065 0.8206 58 2 0.0757 0.7288 0.9171 59 4 0.1684 0.6327 0.5811 60 5 0.0646 0.9883 0.8261 61 6 0.0206 0.2373 0.5958 62 7 0.2374 0.5351 0.6686 63 8 0.1111 0.4916 0.508 64 9 0.1419 0.7545 0.7371 65 10 0.1822 0.7648 0.4245 66 12 0.1614 0.121 0.5697 67 14 0.19 0.191 0.22 68 1 0.8322 0.9935 0.1794 69 2 0.9243 0.2712 0.0829 70 4 0.8316 0.3673 0.4189 71 5 0.9354 0.0117 0.1739 72 6 0.9794 0.7627 0.4042 73 7 0.7626 0.4649 0.3314 74 8 0.8889 0.5084 0.492 75 9 0.8581 0.2455 0.2629 76 10 0.8178 0.2352 0.5755 77 12 0.8386 0.879 0.4303 78 14 0.81 0.809 0.78 79 1 0.3322 0.4935 0.6794 80 2 0.4243 0.7712 0.5829 81 4 0.3316 0.8673 0.9189 82 5 0.4354 0.5117 0.6739 83 6 0.4794 0.2627 0.9042 84 7 0.2626 0.9649 0.8314 85 8 0.3889 0.0084 0.992 86 9 0.3581 0.7455 0.7629 87 10 0.3178 0.7352 0.0755 88 12 0.3386 0.379 0.9303 89 14 0.31 0.309 0.28 90 1 0.6678 0.5065 0.3206 91 2 0.5757 0.2288 0.4171 92 4 0.6684 0.1327 0.0811 93 5 0.5646 0.4883 0.3261 94 6 0.5206 0.7373 0.0958 95 7 0.7374 0.0351 0.1686 96 8 0.6111 0.9916 0.008 97 9 0.6419 0.2545 0.2371 98 10 0.6822 0.2648 0.9245 99 12 0.6614 0.621 0.0697 100 14 0.69 0.691 0.72 X-ray density (g/cm cub.) = 3.11 MU (1/cm) = 103.856 Mass attenuation coefficient (cm**2/g) = 33.402 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Al 2.364 6 1.9615 5 1.9373 9 1.9599 12 1.8049 7 1.7993 10 2.0261 12 2 Al 2.364 6 1.9681 5 1.9549 9 1.8246 11 1.8 6 1.792 8 2.0877 12 3 P 2.28 4 1.5521 5 1.5031 6 1.5521 5 1.5031 6 4 P 2.28 4 1.5148 7 1.507 8 1.5665 9 1.5237 10 5 O 3.312 9 2.4728 6 2.3806 9 2.8158 11 2.9648 12 2.7541 6 2.831 10 2.4279 12 2.4941 5 2.5293 6 6 O 3.312 9 2.4728 5 2.6471 8 3.1084 11 2.824 12 3.1433 8 2.6033 11 2.7541 5 2.5293 5 2.4668 6 7 O 3.312 9 2.4814 8 2.5038 9 2.4938 10 3.2962 7 2.719 9 2.6789 12 3.1182 10 2.6178 10 2.8424 12 8 O 3.312 9 2.6471 6 2.4814 7 2.4987 9 2.5034 10 3.1211 11 2.8272 12 3.1433 6 2.7035 11 2.7567 9 9 O 3.312 9 2.3806 5 2.5038 7 2.4987 8 2.4875 10 2.8297 11 2.9352 12 2.719 7 2.7567 8 2.51 12 10 O 3.312 9 2.4938 7 2.5034 8 2.4875 9 2.8074 12 2.831 5 3.1182 7 2.6331 12 2.6178 7 3.1233 12 11 OH 3.36 12 2.8158 5 3.1084 6 3.1211 8 2.8297 9 2.6033 6 2.7035 8 2.6033 6 2.7035 8 2.8158 5 3.1084 6 3.1211 8 2.8297 9 12 OH 3.36 12 2.9648 5 2.824 6 3.3172 7 2.8272 8 2.9352 9 2.8074 10 2.6789 7 2.4279 5 2.51 9 2.6331 10 2.8424 7 3.1233 10 13 H 1.68 1 0.7141 11 14 H 1.68 1 1.0156 9 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 2 0 0 4.749 9.498 0.054 288.8 2 4.8 1.4 2 1 1 0 6.618 13.237 0.075 147.59 4 54.3 191.1 3 0 1 1 8.817 17.635 0.1 82.18 4 69.7 175.4 4 3 1 0 9.456 18.913 0.107 71.17 4 12.0 4.5 5 2 1 -1 9.495 18.991 0.107 70.57 4 29.6 27.1 6 4 0 0 9.531 19.062 0.107 70.02 2 82.8 105.4 7 2 1 1 10.544 21.089 0.119 56.82 4 43.0 46.1 8 4 1 -1 12.198 24.395 0.137 41.93 4 82.5 125.4 9 0 2 0 12.423 24.847 0.14 40.34 2 8.9 0.7 10 0 0 2 12.616 25.232 0.142 39.06 2 17.2 2.5 11 2 0 -2 12.694 25.387 0.143 38.56 2 74.7 47.3 12 2 2 0 13.327 26.655 0.15 34.79 4 83.7 107.1 13 5 1 0 13.489 26.978 0.151 33.91 4 59.4 52.5 14 4 1 1 13.836 27.672 0.155 32.13 4 255.1 918.5 15 1 1 -2 13.917 27.835 0.156 31.73 4 246.8 849.1 16 1 2 -1 13.979 27.958 0.157 31.44 4 17.3 4.1 17 2 0 2 14.279 28.558 0.16 30.05 2 2.7 0.0 18 1 2 1 14.358 28.715 0.161 29.7 4 213.7 595.5 19 6 0 0 14.381 28.763 0.161 29.59 2 220.9 317.1 20 4 0 -2 14.486 28.973 0.162 29.14 2 222.4 316.5 21 1 1 2 14.669 29.337 0.164 28.37 4 24.8 7.6 22 3 1 -2 14.804 29.608 0.166 27.82 4 68.3 57.1 23 3 2 -1 15.221 30.441 0.17 26.21 4 23.0 6.1 24 4 2 0 15.752 31.504 0.176 24.35 4 3.8 0.2 25 6 1 -1 15.978 31.957 0.179 23.61 4 36.1 13.5 26 3 2 1 16.253 32.507 0.182 22.75 4 20.9 4.3 27 3 1 2 16.859 33.718 0.188 21.02 4 37.1 12.7 28 5 1 -2 17.097 34.194 0.191 20.39 4 29.1 7.6 29 4 0 2 17.223 34.446 0.192 20.06 2 10.9 0.5 30 6 0 -2 17.515 35.03 0.195 19.34 2 83.6 29.7 31 5 2 -1 17.776 35.552 0.198 18.72 4 191.1 300.2 32 0 2 2 17.853 35.705 0.199 18.55 4 84.9 58.8 33 2 2 -2 17.91 35.819 0.2 18.42 4 9.4 0.7 34 6 1 1 17.913 35.826 0.2 18.41 4 58.1 27.3 35 7 1 0 18.005 36.009 0.201 18.21 4 30.1 7.3 36 1 3 0 18.986 37.973 0.211 16.2 4 54.6 21.2 37 2 2 2 19.104 38.208 0.212 15.98 4 13.2 1.2 38 6 2 0 19.183 38.367 0.213 15.83 4 42.4 12.5 39 4 2 -2 19.265 38.53 0.214 15.69 4 54.2 20.2 40 5 2 1 19.268 38.536 0.214 15.68 4 14.2 1.4 41 8 0 0 19.34 38.68 0.215 15.55 2 61.1 12.8 42 0 3 1 19.918 39.836 0.221 14.57 4 22.5 3.2 43 2 1 -3 19.944 39.888 0.221 14.53 4 44.7 12.8 44 5 1 2 20.073 40.146 0.223 14.32 4 3.3 0.1 45 0 1 3 20.171 40.342 0.224 14.16 4 10.4 0.7 46 3 3 0 20.229 40.458 0.224 14.07 4 62.1 23.9 47 2 3 -1 20.248 40.497 0.225 14.04 4 67.4 28.0 48 8 1 -1 20.323 40.645 0.225 13.93 4 55.3 18.7 49 7 1 -2 20.381 40.762 0.226 13.84 4 76.4 35.5 50 2 3 1 20.796 41.591 0.23 13.23 4 5.6 0.2 51 4 1 -3 20.921 41.841 0.232 13.06 4 30.3 5.3 52 6 0 2 20.982 41.964 0.232 12.97 2 27.2 2.1 53 7 2 -1 21.236 42.472 0.235 12.63 4 4.9 0.1 54 8 0 -2 21.328 42.656 0.236 12.5 2 11.0 0.3 55 4 2 2 21.469 42.938 0.238 12.32 4 87.9 41.8 56 2 1 3 21.571 43.142 0.239 12.19 4 18.9 1.9 57 6 2 -2 21.712 43.424 0.24 12.01 4 6.9 0.2 58 4 3 -1 21.741 43.482 0.24 11.98 4 11.4 0.7 59 8 1 1 22.441 44.882 0.248 11.15 4 19.5 1.9 60 5 3 0 22.543 45.086 0.249 11.04 4 22.0 2.4 61 4 3 1 22.767 45.533 0.251 10.8 4 131.7 82.3 62 9 1 0 22.817 45.633 0.252 10.74 4 119.8 67.7 63 1 3 -2 22.82 45.64 0.252 10.74 4 102.5 49.6 64 1 2 -3 22.837 45.673 0.252 10.72 4 29.3 4.0 65 6 1 -3 22.976 45.951 0.253 10.57 4 114.9 61.3 66 7 2 1 23.039 46.077 0.254 10.51 4 153.6 108.9 67 3 2 -3 23.179 46.358 0.255 10.37 4 172.7 135.8 68 8 2 0 23.26 46.521 0.256 10.28 4 33.1 4.9 69 1 3 2 23.318 46.637 0.257 10.23 4 18.7 1.6 70 3 3 -2 23.41 46.819 0.258 10.14 4 4.4 0.1 71 1 2 3 23.581 47.162 0.26 9.97 4 20.2 1.8 72 4 1 3 23.978 47.955 0.264 9.6 4 1.6 0.0 73 7 1 2 23.982 47.964 0.264 9.6 4 26.2 2.9 74 6 3 -1 24.223 48.446 0.266 9.38 4 39.1 6.3 75 9 1 -2 24.338 48.677 0.268 9.28 4 36.1 5.3 76 10 0 0 24.454 48.908 0.269 9.18 2 49.0 4.8 77 5 2 -3 24.573 49.146 0.27 9.08 4 28.5 3.2 78 6 2 2 24.691 49.383 0.271 8.98 4 7.0 0.2 79 3 3 2 24.855 49.71 0.273 8.85 4 74.9 21.8 80 8 2 -2 24.997 49.994 0.274 8.73 4 5.7 0.1 81 5 3 -2 25.029 50.058 0.275 8.71 4 20.7 1.6 82 10 1 -1 25.043 50.085 0.275 8.7 4 32.6 4.1 83 8 0 2 25.288 50.576 0.277 8.51 2 161.1 48.5 84 9 2 -1 25.319 50.639 0.278 8.48 4 20.6 1.6 85 3 2 3 25.339 50.677 0.278 8.47 4 150.8 84.6 86 2 0 -4 25.484 50.968 0.279 8.36 2 137.7 34.8 87 0 4 0 25.484 50.969 0.279 8.36 2 148.0 40.2 88 6 3 1 25.634 51.268 0.281 8.25 4 30.2 3.3 89 10 0 -2 25.674 51.347 0.281 8.22 2 149.7 40.4 90 7 3 0 25.703 51.406 0.282 8.2 4 22.3 1.8 91 0 0 4 25.902 51.803 0.284 8.05 2 23.9 1.0 92 8 1 -3 25.91 51.82 0.284 8.05 4 69.4 17.0 93 2 4 0 25.986 51.973 0.284 7.99 4 10.1 0.4 94 4 0 -4 26.071 52.141 0.285 7.94 2 103.5 18.7 95 1 4 -1 26.364 52.728 0.288 7.74 4 39.3 5.3 96 1 1 -4 26.409 52.818 0.289 7.71 4 58.2 11.5 97 3 1 -4 26.493 52.985 0.29 7.65 4 23.9 1.9 98 1 4 1 26.589 53.178 0.291 7.59 4 0.3 0.0 99 7 2 -3 26.896 53.793 0.294 7.39 4 39.7 5.1 100 3 4 -1 27.118 54.235 0.296 7.25 4 25.0 2.0 101 6 1 3 27.192 54.385 0.297 7.21 4 70.5 15.7 102 2 3 -3 27.198 54.396 0.297 7.21 4 15.4 0.8 103 2 0 4 27.29 54.58 0.298 7.15 2 37.0 2.1 104 5 3 2 27.3 54.601 0.298 7.14 4 73.3 16.9 105 1 1 4 27.301 54.602 0.298 7.14 4 85.5 22.9 106 10 1 1 27.313 54.626 0.298 7.14 4 75.5 17.9 107 9 2 1 27.354 54.708 0.298 7.11 4 34.8 3.8 108 0 3 3 27.378 54.756 0.299 7.1 4 68.8 14.8 109 4 4 0 27.453 54.907 0.299 7.05 4 62.9 12.2 110 8 3 -1 27.498 54.996 0.3 7.03 4 8.7 0.2 111 7 3 -2 27.544 55.089 0.3 7.0 4 6.2 0.1 112 5 1 -4 27.545 55.091 0.3 7.0 4 74.0 16.8 113 6 0 -4 27.615 55.231 0.301 6.96 2 22.7 0.8 114 3 4 1 27.777 55.553 0.303 6.87 4 7.1 0.2 115 10 2 0 27.809 55.618 0.303 6.85 4 36.4 4.0 116 11 1 0 27.897 55.795 0.304 6.8 4 34.0 3.5 117 5 2 3 27.971 55.942 0.304 6.76 4 35.1 3.7 118 4 3 -3 27.977 55.953 0.305 6.76 4 6.6 0.1 119 9 1 2 28.406 56.813 0.309 6.53 4 29.6 2.5 120 2 3 3 28.504 57.007 0.31 6.48 4 34.9 3.5 121 8 2 2 28.573 57.147 0.31 6.44 4 210.2 125.0 122 2 2 -4 28.754 57.508 0.312 6.35 4 193.9 104.9 123 5 4 -1 28.798 57.595 0.313 6.33 4 14.2 0.6 124 11 1 -2 28.802 57.604 0.313 6.33 4 25.7 1.8 125 0 4 2 28.851 57.701 0.313 6.3 4 19.9 1.1 126 2 4 -2 28.89 57.78 0.314 6.28 4 45.7 5.8 127 10 2 -2 28.928 57.857 0.314 6.27 4 5.9 0.1 128 3 1 4 29.107 58.215 0.316 6.18 4 9.2 0.2 129 0 2 4 29.139 58.278 0.316 6.16 4 29.2 2.3 130 8 3 1 29.218 58.437 0.317 6.13 4 25.7 1.8 131 4 2 -4 29.295 58.59 0.318 6.09 4 2.0 0.0 132 7 1 -4 29.497 58.994 0.32 6.0 4 29.1 2.2 133 9 3 0 29.531 59.061 0.32 5.98 4 178.3 83.5 134 10 1 -3 29.549 59.098 0.32 5.97 4 15.3 0.6 135 4 0 4 29.557 59.114 0.32 5.97 2 98.6 12.8 136 6 3 -3 29.663 59.326 0.321 5.92 4 163.4 69.5 137 2 4 2 29.732 59.464 0.322 5.89 4 274.9 195.5 138 12 0 0 29.785 59.571 0.322 5.87 2 261.6 88.2 139 6 4 0 29.789 59.578 0.322 5.87 4 122.0 38.4 140 4 4 -2 29.848 59.695 0.323 5.84 4 151.1 58.6 141 5 4 1 29.85 59.7 0.323 5.84 4 54.8 7.7 142 11 2 -1 29.888 59.775 0.323 5.82 4 135.1 46.7 143 9 2 -3 30.005 60.01 0.325 5.77 4 142.8 51.7 144 8 0 -4 30.02 60.04 0.325 5.76 2 300.0 113.9 145 10 0 2 30.029 60.058 0.325 5.76 2 96.1 11.7 146 12 1 -1 30.095 60.19 0.325 5.73 4 19.2 0.9 147 2 2 4 30.428 60.857 0.329 5.59 4 79.0 15.3 148 12 0 -2 30.45 60.899 0.329 5.59 2 11.1 0.2 149 4 3 3 30.507 61.015 0.33 5.56 4 41.0 4.1 150 7 3 2 30.511 61.022 0.33 5.56 4 16.7 0.7 151 6 2 -4 30.732 61.464 0.332 5.47 4 12.0 0.3 152 9 3 -2 30.815 61.629 0.333 5.44 4 19.0 0.9 153 8 1 3 31.062 62.124 0.335 5.34 4 60.5 8.6 154 7 4 -1 31.309 62.618 0.337 5.25 4 32.1 2.4 155 7 2 3 31.34 62.68 0.338 5.24 4 8.9 0.2 156 10 3 -1 31.419 62.837 0.338 5.21 4 23.8 1.3 157 4 4 2 31.487 62.973 0.339 5.19 4 9.4 0.2 158 6 4 -2 31.673 63.346 0.341 5.12 4 79.0 14.0 159 5 1 4 31.731 63.461 0.341 5.1 4 27.1 1.6 160 11 2 1 32.127 64.254 0.345 4.96 4 8.2 0.1 161 8 3 -3 32.171 64.342 0.346 4.95 4 46.0 4.6 162 9 1 -4 32.249 64.498 0.346 4.92 4 5.7 0.1 163 12 1 1 32.525 65.05 0.349 4.83 4 50.5 5.4 164 1 4 -3 32.549 65.099 0.349 4.82 4 30.6 2.0 165 4 2 4 32.558 65.117 0.349 4.82 4 6.6 0.1 166 6 0 4 32.592 65.185 0.35 4.81 2 35.4 1.3 167 1 3 -4 32.607 65.215 0.35 4.81 4 40.2 3.4 168 1 5 0 32.644 65.288 0.35 4.79 4 0.2 0.0 169 3 3 -4 32.681 65.361 0.35 4.78 4 6.8 0.1 170 7 4 1 32.709 65.418 0.351 4.77 4 1.9 0.0 171 12 2 0 32.775 65.549 0.351 4.75 4 10.5 0.2 172 3 4 -3 32.82 65.64 0.352 4.74 4 2.8 0.0 173 8 4 0 32.885 65.77 0.352 4.72 4 56.2 6.5 174 8 2 -4 32.997 65.994 0.354 4.69 4 9.7 0.2 175 10 2 2 33.006 66.011 0.354 4.68 4 33.4 2.3 176 1 4 3 33.141 66.282 0.355 4.64 4 66.2 8.9 177 10 0 -4 33.176 66.352 0.355 4.63 2 0.9 0.0 178 2 1 -5 33.267 66.533 0.356 4.61 4 15.4 0.5 179 11 1 2 33.282 66.563 0.356 4.6 4 135.3 37.0 180 13 1 0 33.284 66.569 0.356 4.6 4 44.3 4.0 181 0 5 1 33.285 66.57 0.356 4.6 4 26.8 1.4 182 6 3 3 33.298 66.596 0.356 4.6 4 132.3 35.3 183 1 3 4 33.394 66.789 0.357 4.57 4 151.2 45.9 184 12 2 -2 33.405 66.81 0.357 4.56 4 123.1 30.4 185 10 3 1 33.405 66.81 0.357 4.56 4 23.0 1.1 186 3 5 0 33.503 67.006 0.358 4.54 4 78.1 12.2 187 2 5 -1 33.517 67.034 0.358 4.53 4 60.1 7.2 188 4 1 -5 33.571 67.142 0.359 4.52 4 142.1 40.0 189 5 3 -4 33.611 67.222 0.359 4.51 4 34.0 2.3 190 13 1 -2 33.715 67.431 0.36 4.48 4 64.7 8.2 191 12 1 -3 33.784 67.568 0.361 4.46 4 68.7 9.2 192 11 2 -3 33.784 67.568 0.361 4.46 4 13.8 0.4 193 0 1 5 33.816 67.632 0.361 4.45 4 27.8 1.5 194 2 5 1 33.906 67.812 0.362 4.42 4 39.9 3.1 195 11 3 0 33.925 67.85 0.362 4.42 4 58.6 6.7 196 5 4 -3 33.943 67.886 0.362 4.41 4 24.5 1.2 197 6 4 2 34.04 68.08 0.363 4.39 4 35.7 2.5 198 8 4 -2 34.291 68.581 0.366 4.32 4 3.3 0.0 199 9 3 2 34.381 68.762 0.367 4.3 4 19.1 0.7 200 9 4 -1 34.557 69.114 0.368 4.25 4 48.6 4.4 201 3 4 3 34.573 69.145 0.368 4.25 4 18.2 0.6 202 4 5 -1 34.593 69.186 0.369 4.24 4 45.7 3.9 203 6 1 -5 34.717 69.434 0.37 4.21 4 32.8 2.0 204 11 3 -2 34.737 69.474 0.37 4.21 4 47.1 4.1 205 13 2 -1 34.904 69.809 0.371 4.17 4 13.7 0.3 206 3 3 4 35.013 70.025 0.372 4.14 4 56.8 5.9 207 7 1 4 35.078 70.157 0.373 4.13 4 9.6 0.2 208 5 5 0 35.19 70.379 0.374 4.1 4 66.7 8.0 209 12 0 2 35.19 70.38 0.374 4.1 2 45.5 1.9 210 2 1 5 35.199 70.399 0.374 4.1 4 20.3 0.7 211 9 2 3 35.352 70.703 0.376 4.06 4 139.1 34.5 212 4 5 1 35.358 70.717 0.376 4.06 4 49.0 4.3 213 7 3 -4 35.366 70.732 0.376 4.06 4 68.8 8.4 214 1 5 -2 35.399 70.797 0.376 4.05 4 69.9 8.7 215 10 3 -3 35.413 70.826 0.376 4.05 4 18.9 0.6 216 14 0 0 35.419 70.837 0.376 4.05 2 4.5 0.0 217 3 2 -5 35.446 70.893 0.376 4.04 4 9.9 0.2 218 6 2 4 35.453 70.905 0.377 4.04 4 35.6 2.2 219 10 1 3 35.507 71.013 0.377 4.03 4 8.3 0.1 220 14 1 -1 35.512 71.024 0.377 4.03 4 60.2 6.4 221 1 2 -5 35.566 71.132 0.378 4.01 4 124.4 27.3 222 14 0 -2 35.648 71.296 0.378 4.0 2 22.7 0.5 223 11 1 -4 35.712 71.425 0.379 3.98 4 66.4 7.7 224 1 5 2 35.778 71.557 0.38 3.97 4 1.0 0.0 225 3 5 -2 35.848 71.697 0.38 3.95 4 77.7 10.5 226 7 4 -3 35.879 71.759 0.38 3.95 4 14.0 0.3 227 12 3 -1 35.91 71.821 0.381 3.94 4 2.6 0.0 228 10 2 -4 36.014 72.028 0.382 3.92 4 85.1 12.5 229 5 2 -5 36.155 72.31 0.383 3.89 4 11.3 0.2 230 9 4 1 36.27 72.539 0.384 3.86 4 4.9 0.0 231 8 0 4 36.312 72.624 0.384 3.85 2 33.8 1.0 232 6 5 -1 36.479 72.958 0.386 3.82 4 55.1 5.1 233 1 2 5 36.511 73.021 0.386 3.81 4 28.9 1.4 234 10 4 0 36.66 73.321 0.388 3.78 4 32.0 1.7 235 8 1 -5 36.67 73.34 0.388 3.78 4 6.7 0.1 236 8 3 3 36.797 73.595 0.389 3.76 4 43.3 3.1 237 5 4 3 36.8 73.6 0.389 3.76 4 29.9 1.5 238 3 5 2 36.977 73.954 0.39 3.72 4 31.8 1.7 239 12 0 -4 37.007 74.014 0.391 3.72 2 20.5 0.3 240 5 5 -2 37.116 74.231 0.392 3.7 4 85.6 11.9 241 8 4 2 37.322 74.645 0.394 3.66 4 121.3 23.7 242 13 2 1 37.358 74.717 0.394 3.65 4 133.4 28.5 243 4 1 5 37.377 74.753 0.394 3.65 4 38.2 2.3 244 5 3 4 37.415 74.831 0.394 3.64 4 62.2 6.2 245 2 4 -4 37.48 74.96 0.395 3.63 4 127.1 25.8 246 6 5 1 37.601 75.201 0.396 3.61 4 77.8 9.6 247 10 4 -2 37.633 75.265 0.396 3.61 4 325.8 168.1 248 7 5 0 37.656 75.313 0.397 3.6 4 23.1 0.8 249 7 2 -5 37.673 75.346 0.397 3.6 4 122.0 23.5 250 0 4 4 37.817 75.634 0.398 3.57 4 35.0 1.9 251 9 3 -4 37.897 75.794 0.399 3.56 4 13.7 0.3 252 4 4 -4 37.954 75.909 0.399 3.55 4 62.7 6.1 253 12 2 2 37.962 75.924 0.399 3.55 4 66.0 6.8 254 14 1 1 38.135 76.27 0.401 3.52 4 13.1 0.3 255 12 3 1 38.154 76.308 0.401 3.52 4 31.1 1.5 256 13 2 -3 38.178 76.355 0.401 3.51 4 3.6 0.0 257 14 2 0 38.184 76.368 0.401 3.51 4 78.7 9.6 258 3 2 5 38.256 76.513 0.402 3.5 4 0.7 0.0 259 14 2 -2 38.407 76.814 0.403 3.48 4 15.2 0.4 260 11 4 -1 38.478 76.956 0.404 3.47 4 11.7 0.2 261 14 1 -3 38.581 77.162 0.405 3.45 4 40.8 2.5 262 9 4 -3 38.582 77.164 0.405 3.45 4 29.4 1.3 263 13 1 2 38.626 77.251 0.405 3.44 4 47.3 3.4 264 2 3 -5 38.848 77.697 0.407 3.41 4 20.9 0.7 265 11 3 2 38.862 77.725 0.407 3.41 4 48.4 3.5 266 13 3 0 38.865 77.73 0.407 3.41 4 59.5 5.3 267 2 5 -3 38.883 77.765 0.407 3.41 4 46.7 3.3 268 2 4 4 38.959 77.918 0.408 3.4 4 18.5 0.5 269 5 5 2 38.968 77.935 0.408 3.39 4 23.4 0.8 270 0 5 3 39.032 78.065 0.409 3.38 4 61.1 5.6 271 8 2 4 39.054 78.108 0.409 3.38 4 24.4 0.9 272 15 1 0 39.064 78.128 0.409 3.38 4 33.6 1.7 273 9 1 4 39.095 78.189 0.409 3.38 4 6.5 0.1 274 15 1 -2 39.102 78.204 0.409 3.37 4 49.6 3.7 275 8 5 -1 39.133 78.266 0.41 3.37 4 39.9 2.4 276 4 3 -5 39.134 78.268 0.41 3.37 4 48.9 3.5 277 7 5 -2 39.172 78.343 0.41 3.37 4 1.1 0.0 278 6 4 -4 39.231 78.462 0.411 3.36 4 1.4 0.0 279 13 3 -2 39.27 78.541 0.411 3.35 4 32.0 1.5 280 12 3 -3 39.335 78.67 0.411 3.34 4 8.8 0.1 281 0 3 5 39.365 78.73 0.412 3.34 4 49.8 3.6 282 10 1 -5 39.387 78.774 0.412 3.34 4 53.0 4.1 283 4 5 -3 39.535 79.07 0.413 3.32 4 20.7 0.6 284 12 2 -4 39.732 79.464 0.415 3.29 4 17.5 0.4 285 7 4 3 39.778 79.557 0.415 3.28 4 37.4 2.0 286 13 1 -4 39.84 79.681 0.416 3.27 4 52.9 4.0 287 9 2 -5 39.97 79.94 0.417 3.26 4 6.8 0.1 288 11 2 3 39.974 79.948 0.417 3.26 4 3.6 0.0 289 2 5 3 39.982 79.963 0.417 3.26 4 21.7 0.7 290 0 6 0 40.195 80.391 0.419 3.23 2 11.4 0.1 291 6 3 -5 40.218 80.436 0.419 3.23 4 40.4 2.3 292 2 0 -6 40.244 80.488 0.419 3.22 2 59.0 2.5 293 6 1 5 40.308 80.615 0.42 3.22 4 10.1 0.1 294 4 0 -6 40.345 80.69 0.42 3.21 2 4.4 0.0 295 15 2 -1 40.411 80.822 0.421 3.2 4 5.5 0.0 296 11 4 1 40.493 80.985 0.422 3.2 4 43.2 2.6 297 12 1 3 40.52 81.041 0.422 3.19 4 95.3 12.7 298 7 3 4 40.561 81.122 0.422 3.19 4 86.8 10.5 299 2 6 0 40.593 81.186 0.422 3.18 4 47.5 3.1 300 8 5 1 40.594 81.189 0.422 3.18 4 22.3 0.7 301 2 3 5 40.676 81.353 0.423 3.17 4 82.1 9.4 302 10 0 4 40.682 81.364 0.423 3.17 2 118.2 9.7 303 5 2 5 40.773 81.545 0.424 3.16 4 121.0 20.4 304 14 0 2 40.831 81.662 0.424 3.16 2 127.0 11.2 305 9 5 0 40.864 81.728 0.425 3.15 4 115.8 18.6 306 3 1 -6 40.866 81.732 0.425 3.15 4 68.3 6.5 307 4 4 4 40.887 81.774 0.425 3.15 4 124.9 21.6 308 1 6 -1 40.895 81.791 0.425 3.15 4 43.0 2.6 309 0 0 6 40.938 81.876 0.425 3.14 2 116.7 9.4 310 10 3 3 40.97 81.939 0.426 3.14 4 1.1 0.0 311 14 3 -1 40.975 81.949 0.426 3.14 4 131.7 23.9 312 6 5 -3 40.979 81.958 0.426 3.14 4 123.6 21.1 313 1 6 1 41.077 82.154 0.427 3.13 4 111.0 16.9 314 12 4 0 41.085 82.171 0.427 3.13 4 24.9 0.9 315 1 1 -6 41.162 82.324 0.427 3.12 4 1.1 0.0 316 11 3 -4 41.166 82.333 0.427 3.12 4 114.3 17.9 317 6 0 -6 41.24 82.48 0.428 3.11 2 130.6 11.7 318 8 4 -4 41.29 82.58 0.428 3.11 4 3.1 0.0 319 10 4 2 41.298 82.596 0.428 3.11 4 54.6 4.1 320 16 0 -2 41.335 82.67 0.429 3.1 2 98.5 6.6 321 5 1 -6 41.363 82.727 0.429 3.1 4 30.8 1.3 322 16 1 -1 41.386 82.772 0.429 3.1 4 84.8 9.8 323 16 0 0 41.478 82.957 0.43 3.09 2 29.2 0.6 324 14 0 -4 41.488 82.976 0.43 3.09 2 122.8 10.2 325 3 6 -1 41.507 83.013 0.43 3.09 4 24.0 0.8 326 12 4 -2 41.667 83.333 0.432 3.07 4 4.0 0.0 327 4 5 3 41.718 83.435 0.432 3.06 4 19.9 0.5 328 7 5 2 41.721 83.442 0.432 3.06 4 46.1 2.9 329 4 6 0 41.782 83.564 0.433 3.06 4 29.9 1.2 330 9 5 -2 41.989 83.977 0.434 3.04 4 30.1 1.2 331 11 4 -3 42.018 84.037 0.434 3.04 4 35.1 1.6 332 3 6 1 42.049 84.098 0.435 3.03 4 46.7 2.9 333 8 3 -5 42.086 84.171 0.435 3.03 4 30.2 1.2 334 1 1 6 42.248 84.495 0.436 3.02 4 48.1 3.1 335 2 0 6 42.419 84.838 0.438 3.0 2 53.4 1.9 336 10 5 -1 42.526 85.051 0.439 2.99 4 60.2 4.8 337 7 1 -6 42.648 85.297 0.44 2.98 4 18.4 0.4 338 4 3 5 42.767 85.535 0.441 2.97 4 50.7 3.4 339 12 1 -5 42.842 85.685 0.441 2.97 4 42.2 2.3 340 5 6 -1 42.905 85.809 0.442 2.96 4 104.0 14.1 341 2 2 -6 42.916 85.831 0.442 2.96 4 19.6 0.5 342 8 0 -6 42.92 85.84 0.442 2.96 2 9.9 0.1 343 0 6 2 42.949 85.899 0.442 2.96 4 27.6 1.0 344 2 6 -2 42.983 85.965 0.443 2.96 4 2.0 0.0 345 4 2 -6 43.016 86.032 0.443 2.95 4 24.4 0.8 346 11 2 -5 43.023 86.046 0.443 2.95 4 36.9 1.8 347 13 4 -1 43.066 86.132 0.443 2.95 4 17.2 0.4 348 15 2 1 43.125 86.251 0.444 2.94 4 9.0 0.1 349 15 2 -3 43.2 86.4 0.444 2.94 4 105.5 14.4 350 8 5 -3 43.201 86.402 0.444 2.94 4 24.6 0.8 351 10 2 4 43.349 86.698 0.446 2.93 4 177.5 40.5 352 9 4 3 43.488 86.975 0.447 2.92 4 10.5 0.1 353 14 2 2 43.497 86.994 0.447 2.92 4 21.9 0.6 354 14 3 1 43.503 87.007 0.447 2.92 4 22.0 0.6 355 3 4 -5 43.577 87.154 0.447 2.91 4 41.3 2.2 356 6 4 4 43.583 87.166 0.448 2.91 4 0.8 0.0 357 1 5 -4 43.597 87.194 0.448 2.91 4 25.1 0.8 358 0 2 6 43.603 87.205 0.448 2.91 4 194.7 48.5 359 3 5 -4 43.663 87.327 0.448 2.91 4 33.7 1.4 360 1 4 -5 43.69 87.381 0.448 2.9 4 8.0 0.1 361 2 6 2 43.703 87.406 0.448 2.9 4 4.4 0.0 362 6 6 0 43.752 87.504 0.449 2.9 4 25.4 0.8 363 11 1 4 43.782 87.564 0.449 2.9 4 71.6 6.5 364 4 6 -2 43.803 87.606 0.449 2.9 4 3.9 0.0 365 5 6 1 43.805 87.61 0.449 2.9 4 20.3 0.5 366 6 2 -6 43.902 87.805 0.45 2.89 4 7.0 0.1 367 14 3 -3 43.938 87.876 0.45 2.89 4 24.5 0.8 368 8 1 5 43.976 87.952 0.451 2.89 4 47.7 2.9 369 13 3 2 43.981 87.963 0.451 2.89 4 25.2 0.8 370 16 1 -3 43.986 87.973 0.451 2.89 4 10.0 0.1 371 16 2 -2 43.996 87.993 0.451 2.88 4 19.2 0.5 372 7 2 5 44.043 88.086 0.451 2.88 4 1.3 0.0 373 3 1 6 44.116 88.231 0.452 2.88 4 52.5 3.5 374 10 4 -4 44.116 88.232 0.452 2.88 4 9.4 0.1 375 16 2 0 44.139 88.278 0.452 2.88 4 5.7 0.0 376 14 2 -4 44.148 88.297 0.452 2.88 4 11.3 0.2 377 6 5 3 44.228 88.455 0.453 2.87 4 101.9 13.1 378 5 4 -5 44.25 88.5 0.453 2.87 4 4.5 0.0 379 16 1 1 44.271 88.543 0.453 2.87 4 96.6 11.8 380 1 5 4 44.316 88.632 0.453 2.87 4 103.7 13.5 381 10 5 1 44.326 88.652 0.454 2.86 4 18.5 0.4 382 15 3 0 44.41 88.82 0.454 2.86 4 35.5 1.6 383 9 3 4 44.44 88.879 0.454 2.86 4 15.6 0.3 384 15 3 -2 44.447 88.894 0.455 2.86 4 5.6 0.0 385 5 5 -4 44.516 89.032 0.455 2.85 4 24.6 0.8 386 15 1 2 44.536 89.072 0.455 2.85 4 16.7 0.3 387 1 4 5 44.59 89.179 0.456 2.85 4 14.5 0.3 388 15 1 -4 44.648 89.295 0.456 2.85 4 14.7 0.3 389 4 0 6 44.679 89.358 0.456 2.84 2 3.2 0.0 390 9 1 -6 44.715 89.429 0.457 2.84 4 122.0 18.6 391 10 3 -5 44.727 89.453 0.457 2.84 4 14.5 0.3 392 11 5 0 44.806 89.612 0.457 2.84 4 13.2 0.2 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 6.618 13.237 6.68317 191.1 20.8 21.0 5.6 2 0 1 1 8.817 17.635 5.02512 175.4 19.1 19.2 5.6 3 2 1 -1 9.495 18.991 4.66929 27.1 2.9 3.0 5.6 4 4 0 0 9.531 19.062 4.65188 105.4 11.5 11.6 5.6 5 2 1 1 10.544 21.089 4.20924 46.1 5.0 5.0 5.6 6 4 1 -1 12.198 24.395 3.64571 125.4 13.7 13.7 5.6 7 2 0 -2 12.694 25.387 3.50544 47.3 5.1 5.2 5.6 8 2 2 0 13.327 26.655 3.34159 107.1 11.7 11.7 5.6 9 5 1 0 13.489 26.978 3.3022 52.5 5.7 5.7 5.6 10 4 1 1 13.836 27.672 3.22102 918.5 100.0 100.0 5.6 11 1 1 -2 13.917 27.835 3.20251 849.1 92.4 92.4 5.6 12 1 2 1 14.358 28.715 3.10632 912.7 99.4 99.3 5.6 13 4 0 -2 14.486 28.973 3.07928 316.5 34.5 34.4 5.6 14 3 1 -2 14.804 29.608 3.01464 57.1 6.2 6.2 5.6 15 6 1 -1 15.978 31.957 2.79821 13.5 1.5 1.5 5.6 16 3 1 2 16.859 33.718 2.656 12.7 1.4 1.4 5.7 17 6 0 -2 17.515 35.03 2.55945 29.7 3.2 3.2 5.7 18 5 2 -1 17.776 35.552 2.52305 300.2 32.7 32.5 5.7 19 0 2 2 17.853 35.705 2.51256 58.8 6.4 6.4 5.7 20 6 1 1 17.913 35.826 2.50442 27.3 3.0 2.9 5.7 21 1 3 0 18.986 37.973 2.3676 21.2 2.3 2.3 5.7 22 6 2 0 19.183 38.367 2.34418 12.5 1.4 1.3 5.7 23 4 2 -2 19.265 38.53 2.33465 21.6 2.4 2.3 5.7 24 8 0 0 19.34 38.68 2.32594 12.8 1.4 1.4 5.7 25 2 1 -3 19.944 39.888 2.25822 16.0 1.7 1.7 5.7 26 2 3 -1 20.248 40.497 2.22567 51.8 5.6 5.6 5.7 27 8 1 -1 20.323 40.645 2.21787 18.7 2.0 2.0 5.7 28 7 1 -2 20.381 40.762 2.2118 35.5 3.9 3.8 5.7 29 4 2 2 21.469 42.938 2.10462 41.8 4.6 4.5 5.7 30 4 3 1 22.767 45.533 1.9905 82.3 9.0 8.8 5.7 31 9 1 0 22.817 45.633 1.98637 121.4 13.2 13.0 5.7 32 6 1 -3 22.976 45.951 1.97337 61.3 6.7 6.6 5.7 33 7 2 1 23.039 46.077 1.96826 108.9 11.9 11.7 5.7 34 3 2 -3 23.179 46.358 1.957 135.8 14.8 14.5 5.7 35 3 3 2 24.855 49.71 1.83259 21.8 2.4 2.3 5.7 36 8 0 2 25.288 50.576 1.80322 48.5 5.3 5.2 5.8 37 3 2 3 25.339 50.677 1.79986 86.1 9.4 9.2 5.8 38 0 4 0 25.484 50.969 1.79025 75.0 8.2 8.0 5.8 39 10 0 -2 25.674 51.347 1.77794 40.4 4.4 4.3 5.8 40 8 1 -3 25.91 51.82 1.76281 18.0 2.0 1.9 5.8 41 4 0 -4 26.071 52.141 1.75272 18.7 2.0 2.0 5.8 42 1 1 -4 26.409 52.818 1.73183 11.5 1.2 1.2 5.8 43 6 1 3 27.192 54.385 1.68559 16.5 1.8 1.7 5.8 44 10 1 1 27.313 54.626 1.67871 59.8 6.5 6.3 5.8 45 0 3 3 27.378 54.756 1.67504 18.5 2.0 2.0 5.8 46 4 4 0 27.453 54.907 1.67079 12.2 1.3 1.3 5.8 47 5 1 -4 27.545 55.091 1.66565 16.8 1.8 1.8 5.8 48 8 2 2 28.573 57.147 1.61051 125.0 13.6 13.2 5.8 49 2 2 -4 28.754 57.508 1.60126 104.9 11.4 11.1 5.8 50 9 3 0 29.531 59.061 1.56279 96.9 10.6 10.2 5.8 51 6 3 -3 29.663 59.326 1.55643 69.5 7.6 7.3 5.8 52 2 4 2 29.732 59.464 1.55316 195.5 21.3 20.6 5.8 53 12 0 0 29.785 59.571 1.55063 126.5 13.8 13.3 5.8 54 4 4 -2 29.848 59.695 1.54769 66.3 7.2 7.0 5.8 55 11 2 -1 29.888 59.775 1.54581 46.7 5.1 4.9 5.8 56 8 0 -4 30.02 60.04 1.53964 177.3 19.3 18.6 5.8 57 2 2 4 30.428 60.857 1.52091 15.5 1.7 1.6 5.8 58 6 4 -2 31.673 63.346 1.467 14.0 1.5 1.5 5.9 59 11 1 2 33.282 66.563 1.40369 77.7 8.5 8.1 5.9 60 1 3 4 33.394 66.789 1.39949 77.3 8.4 8.0 5.9 61 3 5 0 33.503 67.006 1.39548 19.4 2.1 2.0 5.9 62 4 1 -5 33.571 67.142 1.393 40.0 4.4 4.2 5.9 63 12 1 -3 33.784 67.568 1.38524 9.6 1.0 1.0 5.9 64 11 3 0 33.925 67.85 1.38016 10.9 1.2 1.1 5.9 65 5 5 0 35.19 70.379 1.33664 10.6 1.2 1.1 5.9 66 9 2 3 35.352 70.703 1.3313 47.3 5.1 4.9 5.9 67 1 5 -2 35.399 70.797 1.32977 9.3 1.0 1.0 5.9 68 1 2 -5 35.566 71.132 1.32432 27.3 3.0 2.8 5.9 69 3 5 -2 35.848 71.697 1.31527 10.5 1.1 1.1 5.9 70 10 2 -4 36.014 72.028 1.31004 12.5 1.4 1.3 5.9 71 5 5 -2 37.116 74.231 1.27651 11.9 1.3 1.2 6.0 72 8 4 2 37.322 74.645 1.27046 23.7 2.6 2.4 6.0 73 13 2 1 37.358 74.717 1.26942 30.9 3.4 3.2 6.0 74 2 4 -4 37.48 74.96 1.2659 25.8 2.8 2.6 6.0 75 6 5 1 37.601 75.201 1.26243 9.6 1.0 1.0 6.0 76 10 4 -2 37.633 75.265 1.26152 168.9 18.4 17.3 6.0 77 7 2 -5 37.673 75.346 1.26037 23.5 2.6 2.4 6.0 78 12 2 2 37.962 75.924 1.25221 12.9 1.4 1.3 6.0 79 14 2 0 38.184 76.368 1.24603 9.6 1.0 1.0 6.0 80 13 3 0 38.865 77.73 1.22756 12.1 1.3 1.2 6.0 81 12 1 3 40.52 81.041 1.18556 15.3 1.7 1.5 6.1 82 7 3 4 40.561 81.122 1.18457 10.5 1.1 1.1 6.1 83 10 0 4 40.682 81.364 1.18167 19.1 2.1 1.9 6.1 84 5 2 5 40.773 81.545 1.17949 20.4 2.2 2.1 6.1 85 14 0 2 40.831 81.662 1.1781 11.2 1.2 1.1 6.1 86 4 4 4 40.887 81.774 1.17678 49.2 5.4 5.0 6.1 87 0 0 6 40.938 81.876 1.17557 9.4 1.0 0.9 6.1 88 14 3 -1 40.975 81.949 1.1747 45.0 4.9 4.5 6.1 89 1 6 1 41.077 82.154 1.17229 17.8 1.9 1.8 6.1 90 11 3 -4 41.166 82.333 1.1702 17.9 2.0 1.8 6.1 91 6 0 -6 41.24 82.48 1.16848 11.7 1.3 1.2 6.1 92 16 1 -1 41.386 82.772 1.1651 9.8 1.1 1.0 6.1 93 14 0 -4 41.488 82.976 1.16275 11.0 1.2 1.1 6.1 94 5 6 -1 42.905 85.809 1.13147 14.6 1.6 1.5 6.1 95 15 2 -3 43.2 86.4 1.12524 15.1 1.6 1.5 6.1 96 10 2 4 43.349 86.698 1.12213 40.5 4.4 4.0 6.1 97 0 2 6 43.603 87.205 1.11691 51.5 5.6 5.1 6.2 98 6 5 3 44.228 88.455 1.10433 13.1 1.4 1.3 6.2 99 16 1 1 44.271 88.543 1.10346 11.8 1.3 1.2 6.2 100 1 5 4 44.316 88.632 1.10258 14.0 1.5 1.4 6.2 101 9 1 -6 44.715 89.429 1.09481 18.8 2.1 1.9 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) |