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 *** *********************** LIDDICOATITE 1, t-tourmaline, s-elbaite Ca(Li,Al)(3)Al(6)[BO(3)](3)Si(6)O(18)(O,OH,F)(4) Hexagonal R 3m Z = 3 R =0.033 NR =1608 27 .6 .1997 Ref.Str.: Nuber B., Schmetzer K. (1981) * Neues Jb. Miner., Mh., 215-219 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 15.875 alpha = 90.0 b = 15.875 beta = 90.0 c = 7.126 gamma = 120.0 Unit cell volume (cub. angs.) = 1555.26 Molar volume ( cub.cm/mol.) = 312.26 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.8548 0.0 Ca = 1.00 2 0.0619 0.9381 0.4582 0.0 Al = 1.00 3 0.26 0.2969 0.4806 0.0 Al = 1.00 4 0.891 0.109 0.6376 0.0 B = 1.00 5 0.19 0.192 0.0922 0.0 Si = 1.00 6 0.0 0.0 0.3036 0.0 O = 1.00 7 0.9399 0.0601 0.6101 0.0 O = 1.00 8 0.1345 0.8655 0.5831 0.0 O = 1.00 9 0.9074 0.0926 0.0183 0.0 O = 1.00 10 0.0924 0.9076 0.997 0.0 O = 1.00 11 0.1862 0.1962 0.3158 0.0 O = 1.00 12 0.2855 0.2859 0.0112 0.0 O = 1.00 13 0.2703 0.2097 0.6509 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.8548 2 2 0.0619 0.9381 0.4582 3 3 0.26 0.2969 0.4806 4 4 0.891 0.109 0.6376 5 5 0.19 0.192 0.0922 6 6 0.0 0.0 0.3036 7 7 0.9399 0.0601 0.6101 8 8 0.1345 0.8655 0.5831 9 9 0.9074 0.0926 0.0183 10 10 0.0924 0.9076 0.997 11 11 0.1862 0.1962 0.3158 12 12 0.2855 0.2859 0.0112 13 13 0.2703 0.2097 0.6509 14 2 0.0619 0.1238 0.4582 15 2 0.8762 0.9381 0.4582 16 3 0.7031 0.9631 0.4806 17 3 0.0369 0.74 0.4806 18 4 0.891 0.782 0.6376 19 4 0.218 0.109 0.6376 20 5 0.808 0.998 0.0922 21 5 0.002 0.81 0.0922 22 7 0.9399 0.8798 0.6101 23 7 0.1202 0.0601 0.6101 24 8 0.1345 0.269 0.5831 25 8 0.731 0.8655 0.5831 26 9 0.9074 0.8148 0.0183 27 9 0.1852 0.0926 0.0183 28 10 0.0924 0.1848 0.997 29 10 0.8152 0.9076 0.997 30 11 0.8038 0.99 0.3158 31 11 0.01 0.8138 0.3158 32 12 0.7141 0.9996 0.0112 33 12 0.0004 0.7145 0.0112 34 13 0.7903 0.0606 0.6509 35 13 0.9394 0.7297 0.6509 36 1 0.6667 0.3333 0.1881 37 1 0.3333 0.6667 0.5215 38 2 0.7286 0.4571 0.7915 39 2 0.2095 0.6048 0.1249 40 3 0.3698 0.2964 0.8139 41 3 0.3702 0.4067 0.1473 42 4 0.5577 0.1153 0.9709 43 4 0.5513 0.7757 0.3043 44 5 0.4747 0.3313 0.4255 45 5 0.3353 0.4767 0.7589 46 6 0.6667 0.3333 0.6369 47 6 0.3333 0.6667 0.9703 48 7 0.6066 0.2131 0.9434 49 7 0.4535 0.7268 0.2768 50 8 0.8012 0.6023 0.9164 51 8 0.0643 0.5322 0.2498 52 9 0.5741 0.1481 0.3516 53 9 0.5185 0.7593 0.685 54 10 0.7591 0.5181 0.3303 55 10 0.1485 0.5743 0.6637 56 11 0.4705 0.3233 0.6491 57 11 0.3433 0.4805 0.9825 58 12 0.3808 0.3329 0.3445 59 12 0.3337 0.3812 0.6779 60 13 0.457 0.3939 0.9842 61 13 0.2727 0.3964 0.3176 62 2 0.5429 0.2714 0.7915 63 2 0.3952 0.6048 0.1249 64 2 0.7286 0.2714 0.7915 65 2 0.3952 0.7905 0.1249 66 3 0.7036 0.0733 0.8139 67 3 0.5933 0.9636 0.1473 68 3 0.9267 0.6302 0.8139 69 3 0.0364 0.6297 0.1473 70 4 0.8847 0.4423 0.9709 71 4 0.2243 0.7757 0.3043 72 4 0.5577 0.4423 0.9709 73 4 0.2243 0.4487 0.3043 74 5 0.6687 0.1433 0.4255 75 5 0.5233 0.8587 0.7589 76 5 0.8567 0.5253 0.4255 77 5 0.1413 0.6646 0.7589 78 7 0.7869 0.3934 0.9434 79 7 0.2732 0.7268 0.2768 80 7 0.6066 0.3934 0.9434 81 7 0.2732 0.5464 0.2768 82 8 0.3977 0.1988 0.9164 83 8 0.4678 0.5322 0.2498 84 8 0.8012 0.1988 0.9164 85 8 0.4678 0.9357 0.2498 86 9 0.8519 0.4259 0.3516 87 9 0.2407 0.7593 0.685 88 9 0.5741 0.4259 0.3516 89 9 0.2407 0.4814 0.685 90 10 0.4819 0.2409 0.3303 91 10 0.4257 0.5743 0.6637 92 10 0.7591 0.2409 0.3303 93 10 0.4257 0.8514 0.6637 94 11 0.6767 0.1471 0.6491 95 11 0.5195 0.8629 0.9825 96 11 0.8529 0.5295 0.6491 97 11 0.1371 0.6567 0.9825 98 12 0.6671 0.0478 0.3445 99 12 0.6188 0.9526 0.6779 100 12 0.9522 0.6192 0.3445 101 12 0.0474 0.6662 0.6779 102 13 0.6061 0.063 0.9842 103 13 0.6036 0.8764 0.3176 104 13 0.937 0.543 0.9842 105 13 0.1236 0.7272 0.3176 106 3 0.26 0.9631 0.4806 107 5 0.19 0.998 0.0922 108 11 0.1862 0.99 0.3158 109 12 0.2855 0.9996 0.0112 110 13 0.2703 0.0606 0.6509 111 3 0.7031 0.74 0.4806 112 3 0.0369 0.2969 0.4806 113 5 0.808 0.81 0.0922 114 5 0.002 0.192 0.0922 115 11 0.8038 0.8138 0.3158 116 11 0.01 0.1962 0.3158 117 12 0.7141 0.7145 0.0112 118 12 0.0004 0.2859 0.0112 119 13 0.7903 0.7297 0.6509 120 13 0.9394 0.2097 0.6509 121 3 0.3698 0.0733 0.8139 122 3 0.3702 0.9636 0.1473 123 5 0.4747 0.1433 0.4255 124 5 0.3353 0.8587 0.7589 125 11 0.4705 0.1471 0.6491 126 11 0.3433 0.8629 0.9825 127 12 0.3808 0.0478 0.3445 128 12 0.3337 0.9526 0.6779 129 13 0.457 0.063 0.9842 130 13 0.2727 0.8764 0.3176 131 3 0.7036 0.6302 0.8139 132 3 0.5933 0.6298 0.1473 133 3 0.9267 0.2964 0.8139 134 3 0.0364 0.4067 0.1473 135 5 0.6687 0.5253 0.4255 136 5 0.5233 0.6647 0.7589 137 5 0.8567 0.3313 0.4255 138 5 0.1413 0.4767 0.7589 139 11 0.6767 0.5295 0.6491 140 11 0.5195 0.6567 0.9825 141 11 0.8529 0.3233 0.6491 142 11 0.1371 0.4805 0.9825 143 12 0.6671 0.6192 0.3445 144 12 0.6188 0.6663 0.6779 145 12 0.9522 0.3329 0.3445 146 12 0.0474 0.3812 0.6779 147 13 0.6061 0.543 0.9842 148 13 0.6036 0.7273 0.3176 149 13 0.937 0.3939 0.9842 150 13 0.1236 0.3964 0.3176 X-ray density (g/cm cub.) = 3.14 MU (1/cm) = 109.79 Mass attenuation coefficient (cm**2/g) = 34.994 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.88 9 2.4024 7 2.8001 9 2.7353 10 2.4025 7 2.4025 7 2.8002 9 2.8002 9 2.7352 10 2.7352 10 2 Al 2.316 6 2.0275 6 2.1857 8 1.9967 7 1.9967 7 1.9941 11 1.9941 11 3 Al 2.316 6 1.8532 11 1.9084 13 1.9536 8 1.9611 12 1.8893 12 1.888 13 4 B 1.872 3 1.3588 7 1.388 13 1.3882 13 5 Si 2.1 4 1.5972 11 1.6105 12 1.6288 9 1.6421 10 6 O 3.264 12 2.7388 7 3.2583 9 3.0397 11 2.7389 7 2.7389 7 3.2584 9 3.2584 9 3.0396 11 3.0397 11 3.0397 11 3.0396 11 3.0397 11 7 O 3.264 10 2.7388 6 3.043 9 2.8624 7 2.8624 7 3.2145 8 3.2145 8 2.8108 11 2.3965 13 2.8108 11 2.3967 13 8 O 3.264 12 3.1685 10 3.2145 7 3.2145 7 2.5662 11 2.7921 13 3.0098 9 2.8283 12 2.8369 13 2.5663 11 2.7923 13 2.8281 12 2.8367 13 9 O 3.264 11 3.2583 6 3.043 7 2.5479 10 2.5479 10 2.6784 11 2.6586 12 3.1022 13 3.0101 8 2.6784 11 2.6588 12 3.1023 13 10 O 3.264 7 3.1685 8 2.5479 9 2.5479 9 2.6723 11 2.6577 12 2.6724 11 2.6577 12 11 O 3.264 10 3.0397 6 2.6419 12 2.6915 13 2.8108 7 2.5662 8 2.6784 9 2.6723 10 2.7548 12 2.7603 13 2.7971 11 12 O 3.264 10 2.6419 11 2.7967 13 2.6586 9 2.6577 10 2.7548 11 2.7124 12 2.7125 12 2.3914 13 2.8701 13 2.8281 8 13 O 3.264 10 2.6915 11 2.7967 12 2.3965 7 2.7921 8 3.1022 9 2.7603 11 2.8702 12 2.3914 12 2.8367 8 2.367 13 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 5.569 11.138 0.063 209.4 6 6.0 1.9 2 1 0 1 6.993 13.986 0.079 131.96 6 46.7 71.5 3 2 0 -1 8.957 17.914 0.101 79.57 6 93.1 170.9 4 3 0 0 9.676 19.353 0.109 67.87 6 107.9 195.9 5 2 1 1 10.571 21.143 0.119 56.51 12 131.9 487.8 6 2 2 0 11.191 22.383 0.126 50.2 6 190.2 450.4 7 1 0 -2 12.905 25.809 0.145 37.24 6 181.8 305.3 8 3 1 -1 13.245 26.49 0.149 35.25 12 87.6 134.3 9 2 0 2 14.093 28.187 0.158 30.9 6 23.8 4.3 10 4 0 1 14.408 28.815 0.162 29.48 6 50.3 18.5 11 4 1 0 14.877 29.755 0.167 27.53 12 112.9 174.1 12 2 1 -2 15.196 30.393 0.17 26.3 12 226.1 666.9 13 3 2 1 15.49 30.98 0.173 25.24 12 79.7 79.6 14 3 3 0 16.926 33.851 0.189 20.84 6 38.6 7.7 15 3 1 2 17.21 34.421 0.192 20.1 12 77.4 59.8 16 5 0 -1 17.474 34.948 0.195 19.44 6 397.1 760.5 17 4 0 -2 18.143 36.286 0.202 17.9 6 60.2 16.1 18 4 2 -1 18.395 36.79 0.205 17.37 12 66.9 38.5 19 0 0 3 18.922 37.844 0.21 16.32 2 205.7 57.1 20 3 2 -2 19.036 38.072 0.212 16.11 12 115.1 105.8 21 5 1 1 19.278 38.555 0.214 15.66 12 143.3 159.6 22 6 0 0 19.644 39.287 0.218 15.02 6 95.1 33.7 23 1 1 3 19.785 39.57 0.22 14.79 12 42.0 12.9 24 5 2 0 20.481 40.962 0.227 13.69 12 32.7 7.3 25 5 0 2 20.723 41.447 0.23 13.34 6 143.7 68.3 26 4 3 1 20.949 41.898 0.232 13.02 12 145.8 137.2 27 3 0 -3 21.423 42.847 0.237 12.38 6 122.5 46.1 28 3 0 3 21.423 42.847 0.237 12.38 6 140.3 60.5 29 4 2 2 21.526 43.052 0.238 12.25 12 121.5 89.7 30 2 2 3 22.205 44.411 0.245 11.42 12 154.8 135.8 31 5 1 -2 22.305 44.61 0.246 11.31 12 249.8 349.9 32 6 1 -1 22.518 45.036 0.249 11.07 12 106.6 62.4 33 4 4 0 22.841 45.682 0.252 10.72 6 127.5 43.2 34 4 3 -2 23.803 47.606 0.262 9.76 12 232.8 262.5 35 5 3 -1 24.005 48.01 0.264 9.57 12 31.4 4.7 36 7 0 1 24.005 48.01 0.264 9.57 6 43.9 4.6 37 4 1 -3 24.432 48.865 0.268 9.2 12 72.1 23.7 38 4 1 3 24.432 48.865 0.268 9.2 12 44.8 9.2 39 6 2 1 24.723 49.446 0.271 8.95 12 123.8 68.0 40 7 1 0 25.024 50.048 0.275 8.71 12 33.0 4.7 41 6 1 2 25.232 50.464 0.277 8.55 12 45.7 8.8 42 3 3 3 25.836 51.672 0.283 8.1 12 94.3 35.8 43 1 0 4 25.848 51.697 0.283 8.09 6 120.5 29.1 44 6 3 0 26.405 52.809 0.289 7.71 12 17.6 1.2 45 2 0 -4 26.53 53.059 0.29 7.63 6 75.7 10.8 46 5 3 2 26.605 53.209 0.291 7.58 12 24.8 2.3 47 7 0 -2 26.605 53.209 0.291 7.58 6 68.9 8.9 48 5 4 1 26.791 53.583 0.293 7.46 12 57.1 12.0 49 2 1 4 27.199 54.398 0.297 7.21 12 22.0 1.7 50 6 2 -2 27.273 54.546 0.297 7.16 12 102.6 37.4 51 8 0 -1 27.456 54.913 0.299 7.05 6 7.8 0.1 52 6 0 -3 27.845 55.69 0.303 6.83 6 268.9 122.5 53 6 0 3 27.845 55.69 0.303 6.83 6 167.7 47.6 54 7 2 -1 28.111 56.221 0.306 6.69 12 205.4 139.9 55 5 2 -3 28.493 56.987 0.31 6.48 12 24.7 2.0 56 5 2 3 28.493 56.987 0.31 6.48 12 30.7 3.0 57 3 1 -4 28.505 57.011 0.31 6.48 12 24.2 1.9 58 5 5 0 29.027 58.053 0.315 6.22 6 326.0 163.9 59 4 0 4 29.144 58.288 0.316 6.16 6 137.5 28.9 60 5 4 -2 29.215 58.429 0.317 6.13 12 111.4 37.7 61 8 1 1 29.39 58.78 0.319 6.05 12 86.3 22.3 62 3 2 4 29.774 59.548 0.322 5.87 12 82.1 19.6 63 8 0 2 29.844 59.687 0.323 5.84 6 79.0 9.1 64 6 4 -1 30.017 60.034 0.325 5.77 12 100.9 29.1 65 9 0 0 30.282 60.563 0.327 5.65 6 175.1 43.0 66 4 4 3 30.385 60.769 0.328 5.61 12 19.4 1.0 67 7 2 2 30.465 60.93 0.329 5.58 12 151.0 63.1 68 7 3 1 30.636 61.272 0.331 5.51 12 49.9 6.8 69 8 2 0 30.898 61.795 0.333 5.41 12 106.3 30.3 70 5 0 -4 31.011 62.021 0.334 5.36 6 326.9 142.2 71 4 2 -4 31.618 63.236 0.34 5.14 12 125.7 40.3 72 8 1 -2 31.685 63.371 0.341 5.12 12 90.0 20.6 73 7 1 -3 32.208 64.417 0.346 4.94 12 131.7 42.5 74 7 1 3 32.208 64.417 0.346 4.94 12 82.3 16.6 75 5 1 4 32.219 64.439 0.346 4.93 12 256.3 160.7 76 6 4 2 32.286 64.572 0.347 4.91 12 119.3 34.7 77 7 4 0 32.705 65.41 0.351 4.78 12 142.4 48.1 78 7 3 -2 32.881 65.761 0.352 4.72 12 45.5 4.9 79 1 0 -5 32.913 65.826 0.353 4.71 6 178.1 37.0 80 6 5 1 33.045 66.089 0.354 4.67 12 138.7 44.6 81 9 1 -1 33.045 66.089 0.354 4.67 12 90.3 18.9 82 6 3 -3 33.393 66.787 0.357 4.57 12 66.7 10.1 83 6 3 3 33.393 66.787 0.357 4.57 12 140.2 44.5 84 4 3 4 33.404 66.809 0.357 4.57 12 207.3 97.3 85 2 0 5 33.502 67.004 0.358 4.54 6 59.8 4.0 86 2 1 -5 34.086 68.171 0.364 4.38 12 33.4 2.4 87 8 3 -1 34.215 68.43 0.365 4.34 12 85.1 15.6 88 6 1 -4 34.568 69.137 0.368 4.25 12 36.8 2.9 89 10 0 1 34.793 69.586 0.37 4.19 6 305.1 96.9 90 6 5 -2 35.208 70.415 0.374 4.1 12 97.7 19.4 91 9 1 2 35.208 70.415 0.374 4.1 12 57.6 6.7 92 3 1 5 35.239 70.478 0.375 4.09 12 56.7 6.5 93 9 2 1 35.366 70.733 0.376 4.06 12 39.4 3.1 94 6 6 0 35.61 71.219 0.378 4.0 6 207.6 42.8 95 5 5 3 35.704 71.409 0.379 3.98 12 139.3 38.3 96 5 3 -4 35.715 71.43 0.379 3.98 12 104.3 21.5 97 7 0 4 35.715 71.43 0.379 3.98 6 94.0 8.7 98 4 0 -5 35.81 71.619 0.38 3.96 6 190.2 35.5 99 10 1 0 36.178 72.355 0.383 3.88 12 249.8 120.2 100 6 2 4 36.282 72.565 0.384 3.86 12 70.7 9.6 101 8 3 2 36.345 72.69 0.385 3.85 12 126.0 30.3 102 3 2 -5 36.376 72.753 0.385 3.84 12 81.0 12.5 103 7 5 -1 36.502 73.004 0.386 3.82 12 83.0 13.0 104 9 0 -3 36.836 73.672 0.389 3.75 6 42.4 1.7 105 9 0 3 36.836 73.672 0.389 3.75 6 82.4 6.3 106 10 0 -2 36.909 73.817 0.39 3.74 6 99.9 9.3 107 8 4 1 37.065 74.129 0.391 3.71 12 105.9 20.6 108 9 3 0 37.303 74.607 0.393 3.66 12 127.0 29.3 109 8 2 -3 37.396 74.793 0.394 3.65 12 123.5 27.6 110 8 2 3 37.396 74.793 0.394 3.65 12 55.2 5.5 111 9 2 -2 37.469 74.938 0.395 3.63 12 32.1 1.9 112 5 0 5 37.5 75.0 0.395 3.63 6 330.4 98.3 113 5 4 4 37.964 75.929 0.399 3.55 12 155.2 42.4 114 4 2 5 38.057 76.114 0.4 3.53 12 34.7 2.1 115 8 0 -4 38.519 77.039 0.404 3.46 6 23.8 0.5 116 7 5 2 38.581 77.162 0.405 3.45 12 87.0 13.0 117 5 1 -5 38.612 77.223 0.405 3.45 12 73.9 9.3 118 11 0 -1 38.735 77.469 0.406 3.43 6 222.2 42.0 119 7 4 -3 39.062 78.123 0.409 3.38 12 74.7 9.4 120 7 4 3 39.062 78.123 0.409 3.38 12 67.5 7.6 121 7 2 -4 39.072 78.144 0.409 3.38 12 53.1 4.7 122 8 4 -2 39.133 78.266 0.41 3.37 12 114.4 21.9 123 10 2 -1 39.286 78.572 0.411 3.35 12 92.1 14.1 124 8 5 0 39.521 79.041 0.413 3.32 12 66.0 7.2 125 4 3 -5 39.714 79.427 0.415 3.29 12 122.3 24.4 126 7 6 1 39.836 79.671 0.416 3.28 12 58.6 5.6 127 8 1 4 40.17 80.341 0.419 3.23 12 61.2 6.0 128 0 0 6 40.434 80.867 0.421 3.2 2 269.0 19.2 129 6 4 -4 40.717 81.434 0.423 3.17 12 81.0 10.3 130 11 0 2 40.778 81.555 0.424 3.16 6 33.9 0.9 131 6 1 5 40.808 81.615 0.424 3.16 12 75.0 8.8 132 9 4 -1 40.929 81.858 0.425 3.15 12 45.7 3.3 133 11 1 1 40.929 81.858 0.425 3.15 12 140.6 30.9 134 1 1 6 40.979 81.959 0.426 3.14 12 40.7 2.6 135 7 3 4 41.262 82.524 0.428 3.11 12 36.0 2.0 136 10 2 2 41.322 82.645 0.429 3.1 12 65.6 6.6 137 6 6 3 41.795 83.591 0.433 3.06 12 17.1 0.4 138 7 6 -2 41.866 83.732 0.433 3.05 12 25.3 1.0 139 5 3 5 41.896 83.791 0.433 3.05 12 35.3 1.9 140 7 0 -5 41.896 83.791 0.433 3.05 6 34.4 0.9 141 10 3 1 42.017 84.033 0.434 3.04 12 121.3 22.2 142 3 0 -6 42.066 84.133 0.435 3.03 6 100.9 7.7 143 3 0 6 42.066 84.133 0.435 3.03 6 140.3 14.8 144 12 0 0 42.248 84.495 0.436 3.02 6 72.0 3.9 145 10 1 -3 42.338 84.676 0.437 3.01 12 22.7 0.8 146 10 1 3 42.338 84.676 0.437 3.01 12 171.0 43.7 147 6 2 -5 42.438 84.876 0.438 3.0 12 32.8 1.6 148 2 2 6 42.608 85.217 0.439 2.99 12 61.2 5.5 149 7 7 0 42.789 85.578 0.441 2.97 6 55.0 2.2 150 11 2 0 42.789 85.578 0.441 2.97 12 56.3 4.7 151 9 4 2 42.949 85.899 0.442 2.96 12 79.7 9.3 152 11 1 -2 42.949 85.899 0.442 2.96 12 61.8 5.6 153 9 3 -3 43.42 86.84 0.446 2.92 12 75.9 8.3 154 9 3 3 43.42 86.84 0.446 2.92 12 128.8 24.1 155 6 5 4 43.43 86.86 0.446 2.92 12 102.5 15.2 156 9 1 -4 43.43 86.86 0.446 2.92 12 86.3 10.8 157 8 6 -1 43.64 87.28 0.448 2.91 12 68.2 6.7 158 10 3 -2 44.03 88.06 0.451 2.88 12 62.2 5.5 159 5 4 -5 44.06 88.12 0.451 2.88 12 68.7 6.8 160 9 5 1 44.18 88.36 0.452 2.87 12 79.9 9.1 161 4 1 -6 44.23 88.46 0.453 2.87 12 58.2 4.8 162 4 1 6 44.23 88.46 0.453 2.87 12 31.4 1.4 163 10 4 0 44.41 88.82 0.454 2.86 12 46.9 3.1 164 8 3 -4 44.51 89.02 0.455 2.85 12 45.4 2.9 165 8 0 5 44.6 89.199 0.456 2.85 6 68.5 3.3 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 1 6.993 13.986 6.32664 71.5 9.4 9.6 5.6 2 2 0 1 8.957 17.914 4.94737 170.9 22.5 22.8 5.6 3 3 0 0 9.676 19.353 4.58272 195.9 25.8 26.1 5.6 4 2 1 1 10.571 21.143 4.19858 487.8 64.1 64.9 5.6 5 2 2 0 11.191 22.383 3.96875 450.4 59.2 59.8 5.6 6 1 0 2 12.905 25.809 3.44905 305.3 40.1 40.5 5.6 7 3 1 1 13.245 26.49 3.362 134.3 17.7 17.8 5.6 8 4 0 1 14.408 28.815 3.09576 18.5 2.4 2.5 5.6 9 4 1 0 14.877 29.755 3.00009 174.1 22.9 23.0 5.6 10 2 1 2 15.196 30.393 2.93856 666.9 87.7 88.0 5.6 11 3 2 1 15.49 30.98 2.88416 79.6 10.5 10.5 5.6 12 3 3 0 16.926 33.851 2.64583 7.7 1.0 1.0 5.7 13 3 1 2 17.21 34.421 2.60334 59.8 7.9 7.9 5.7 14 5 0 1 17.474 34.948 2.56529 760.5 100.0 100.0 5.7 15 4 0 2 18.143 36.286 2.47369 16.1 2.1 2.1 5.7 16 4 2 1 18.395 36.79 2.44097 38.5 5.1 5.1 5.7 17 0 0 3 18.922 37.844 2.37533 57.1 7.5 7.5 5.7 18 3 2 2 19.036 38.072 2.36166 105.8 13.9 13.9 5.7 19 5 1 1 19.278 38.555 2.33314 159.6 21.0 20.9 5.7 20 6 0 0 19.644 39.287 2.29136 33.7 4.4 4.4 5.7 21 1 1 3 19.785 39.57 2.27562 12.9 1.7 1.7 5.7 22 5 0 2 20.723 41.447 2.1768 68.3 9.0 8.9 5.7 23 4 3 1 20.949 41.898 2.15441 137.2 18.0 17.9 5.7 24 3 0 3 21.423 42.847 2.10888 106.6 14.0 13.9 5.7 25 4 2 2 21.526 43.052 2.09929 89.7 11.8 11.7 5.7 26 2 2 3 22.205 44.411 2.03817 135.8 17.9 17.7 5.7 27 5 1 2 22.305 44.61 2.02951 349.9 46.0 45.6 5.7 28 6 1 1 22.518 45.036 2.01133 62.4 8.2 8.1 5.7 29 4 4 0 22.841 45.682 1.98438 43.2 5.7 5.6 5.7 30 4 3 2 23.803 47.606 1.90857 262.5 34.5 34.1 5.7 31 5 3 1 24.005 48.01 1.89342 9.3 1.2 1.2 5.7 32 4 1 3 24.432 48.865 1.86229 32.9 4.3 4.3 5.7 33 6 2 1 24.723 49.446 1.84175 68.0 8.9 8.8 5.7 34 6 1 2 25.232 50.464 1.80696 8.8 1.2 1.1 5.8 35 3 3 3 25.836 51.672 1.76754 64.9 8.5 8.4 5.8 36 2 0 4 26.53 53.059 1.72453 10.8 1.4 1.4 5.8 37 7 0 2 26.605 53.209 1.72002 11.2 1.5 1.4 5.8 38 5 4 1 26.791 53.583 1.7089 12.0 1.6 1.6 5.8 39 6 2 2 27.273 54.546 1.681 37.4 4.9 4.8 5.8 40 6 0 3 27.845 55.69 1.64912 170.1 22.4 21.9 5.8 41 7 2 1 28.111 56.221 1.63481 139.9 18.4 18.0 5.8 42 5 5 0 29.027 58.053 1.5875 163.9 21.6 21.0 5.8 43 4 0 4 29.144 58.288 1.58166 28.9 3.8 3.7 5.8 44 5 4 2 29.215 58.429 1.57818 37.7 5.0 4.8 5.8 45 8 1 1 29.39 58.78 1.56958 22.3 2.9 2.9 5.8 46 3 2 4 29.774 59.548 1.55116 19.6 2.6 2.5 5.8 47 8 0 2 29.844 59.687 1.54788 9.1 1.2 1.2 5.8 48 6 4 1 30.017 60.034 1.53977 29.1 3.8 3.7 5.8 49 9 0 0 30.282 60.563 1.52757 43.0 5.7 5.5 5.8 50 7 2 2 30.465 60.93 1.51926 63.1 8.3 8.0 5.8 51 8 2 0 30.898 61.795 1.50005 30.3 4.0 3.9 5.8 52 5 0 4 31.011 62.021 1.49512 142.2 18.7 18.1 5.8 53 4 2 4 31.618 63.236 1.46928 40.3 5.3 5.1 5.9 54 8 1 2 31.685 63.371 1.46649 20.6 2.7 2.6 5.9 55 5 1 4 32.219 64.439 1.44474 219.8 28.9 27.9 5.9 56 6 4 2 32.286 64.572 1.44208 34.7 4.6 4.4 5.9 57 7 4 0 32.705 65.41 1.42562 48.1 6.3 6.1 5.9 58 1 0 5 32.913 65.826 1.4176 37.0 4.9 4.7 5.9 59 6 5 1 33.045 66.089 1.4126 63.4 8.3 8.0 5.9 60 4 3 4 33.404 66.809 1.39913 151.9 20.0 19.2 5.9 61 8 3 1 34.215 68.43 1.36988 15.6 2.0 2.0 5.9 62 10 0 1 34.793 69.586 1.34992 96.9 12.7 12.2 5.9 63 6 5 2 35.208 70.415 1.33604 26.1 3.4 3.3 5.9 64 6 6 0 35.61 71.219 1.32292 42.8 5.6 5.4 5.9 65 5 5 3 35.704 71.409 1.31987 68.6 9.0 8.6 5.9 66 4 0 5 35.81 71.619 1.31651 35.5 4.7 4.5 5.9 67 10 1 0 36.178 72.355 1.30492 120.2 15.8 15.0 5.9 68 6 2 4 36.282 72.565 1.30167 9.6 1.3 1.2 6.0 69 8 3 2 36.345 72.69 1.29972 30.3 4.0 3.8 6.0 70 3 2 5 36.376 72.753 1.29876 12.5 1.6 1.6 6.0 71 7 5 1 36.502 73.004 1.29491 13.0 1.7 1.6 6.0 72 9 0 3 36.836 73.672 1.28482 8.0 1.1 1.0 6.0 73 10 0 2 36.909 73.817 1.28264 9.3 1.2 1.2 6.0 74 8 4 1 37.065 74.129 1.27802 20.6 2.7 2.6 6.0 75 9 3 0 37.303 74.607 1.27102 29.3 3.9 3.7 6.0 76 8 2 3 37.396 74.793 1.26831 33.1 4.4 4.1 6.0 77 5 0 5 37.5 75.0 1.26533 98.3 12.9 12.2 6.0 78 5 4 4 37.964 75.929 1.25214 42.4 5.6 5.3 6.0 79 7 5 2 38.581 77.162 1.23518 13.0 1.7 1.6 6.0 80 5 1 5 38.612 77.223 1.23435 9.3 1.2 1.2 6.0 81 11 0 1 38.735 77.469 1.23104 42.0 5.5 5.2 6.0 82 7 4 3 39.062 78.123 1.22236 21.7 2.9 2.7 6.0 83 8 4 2 39.133 78.266 1.22049 21.9 2.9 2.7 6.0 84 10 2 1 39.286 78.572 1.2165 14.1 1.9 1.7 6.0 85 4 3 5 39.714 79.427 1.20554 24.4 3.2 3.0 6.0 86 0 0 6 40.434 80.867 1.18767 19.2 2.5 2.4 6.1 87 6 4 4 40.717 81.434 1.18083 10.3 1.4 1.3 6.1 88 6 1 5 40.808 81.615 1.17866 8.8 1.2 1.1 6.1 89 11 1 1 40.929 81.858 1.17578 34.1 4.5 4.2 6.1 90 10 3 1 42.017 84.033 1.1508 22.2 2.9 2.7 6.1 91 3 0 6 42.066 84.133 1.14968 22.5 3.0 2.7 6.1 92 10 1 3 42.338 84.676 1.1437 43.7 5.7 5.3 6.1 93 9 4 2 42.949 85.899 1.13052 14.9 2.0 1.8 6.1 94 9 1 4 43.43 86.86 1.12046 58.4 7.7 7.1 6.1 95 5 4 5 44.06 88.12 1.10766 12.3 1.6 1.5 6.2 96 9 5 1 44.18 88.36 1.10527 9.1 1.2 1.1 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) |