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 *** *********************** CARMICHAELITE 1 (Ti,Cr,Fe,Mg,Al)(O,OH)(2) Monoclinic P 2(1)/c Z = 22 P2(1)/c 4 .7 .1902 Ref.Str.: Rouse R.C., Essene E.J., Peacor D.R., Zhang Y. (2000) * Amer. Mineral., 85. 792-800 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.706 alpha = 90.0 b = 4.5583 beta = 92.33 c = 20.187 gamma = 90.0 Unit cell volume (cub. angs.) = 708.51 Molar volume ( cub.cm/mol.) = 19.4 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.5 0.0 0.0 1.3 Ti = 1.00 2 0.0562 0.007 0.3113 0.3 Ti = 0.94, V = 0.06 3 0.4128 0.992 0.3691 0.34 Ti = 0.98, Nb = 0.03 4 0.1328 0.999 0.9448 0.57 Ti = 1.00 5 0.3271 0.0 0.7396 0.65 Cr = 0.77, Cr = 0.0 6 0.2187 0.016 0.5747 0.7 Cr = 0.27, Fe = 0.17, Al = 0.18 7 0.2799 0.04 0.2046 0.6 Mg = 0.14, Mg = 0.0 8 0.2375 0.021 0.1051 0.5 Fe = 0.31, Mg = 0.16 9 0.703 0.293 0.4866 2.5 O = 1.00 10 0.259 0.255 0.8074 1.1 O = 1.00 11 0.173 0.283 0.1637 2.1 O = 1.00 12 0.807 0.283 0.1193 1.7 O = 1.00 13 0.624 0.215 0.3502 0.9 O = 1.00 14 0.066 0.252 0.0206 2.6 O = 1.00 15 0.355 0.286 0.4372 2.3 O = 1.00 16 0.523 0.253 0.214 2.7 O = 1.00 17 0.889 0.24 0.2564 0.9 O = 1.00 18 0.986 0.233 0.393 1.2 O = 1.00 19 0.436 0.283 0.0731 2.3 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.5 0.0 0.0 2 2 0.0562 0.007 0.3113 3 3 0.4128 0.992 0.3691 4 4 0.1328 0.999 0.9448 5 5 0.3271 0.0 0.7396 6 6 0.2187 0.016 0.5747 7 7 0.2799 0.04 0.2046 8 8 0.2375 0.021 0.1051 9 9 0.703 0.293 0.4866 10 10 0.259 0.255 0.8074 11 11 0.173 0.283 0.1637 12 12 0.807 0.283 0.1193 13 13 0.624 0.215 0.3502 14 14 0.066 0.252 0.0206 15 15 0.355 0.286 0.4372 16 16 0.523 0.253 0.214 17 17 0.889 0.24 0.2564 18 18 0.986 0.233 0.393 19 19 0.436 0.283 0.0731 20 1 0.5 0.5 0.5 21 2 0.9438 0.507 0.1887 22 3 0.5872 0.492 0.1309 23 4 0.8672 0.499 0.5552 24 5 0.6729 0.5 0.7604 25 6 0.7813 0.516 0.9253 26 7 0.7201 0.54 0.2954 27 8 0.7625 0.521 0.3949 28 9 0.297 0.793 0.0134 29 10 0.741 0.755 0.6926 30 11 0.827 0.783 0.3363 31 12 0.193 0.783 0.3807 32 13 0.376 0.715 0.1498 33 14 0.934 0.752 0.4794 34 15 0.645 0.786 0.0628 35 16 0.477 0.753 0.286 36 17 0.111 0.74 0.2436 37 18 0.014 0.733 0.107 38 19 0.564 0.783 0.4269 39 2 0.0562 0.493 0.8113 40 3 0.4128 0.508 0.8691 41 4 0.1328 0.501 0.4448 42 5 0.3271 0.5 0.2396 43 6 0.2187 0.484 0.0747 44 7 0.2799 0.46 0.7046 45 8 0.2375 0.479 0.6051 46 9 0.703 0.207 0.9866 47 10 0.259 0.245 0.3074 48 11 0.173 0.217 0.6637 49 12 0.807 0.217 0.6193 50 13 0.624 0.285 0.8502 51 14 0.066 0.248 0.5206 52 15 0.355 0.214 0.9372 53 16 0.523 0.247 0.714 54 17 0.889 0.26 0.7564 55 18 0.986 0.267 0.893 56 19 0.436 0.217 0.5731 57 2 0.9438 0.993 0.6887 58 3 0.5872 0.008 0.6309 59 4 0.8672 0.001 0.0552 60 5 0.6729 0.0 0.2604 61 6 0.7813 0.984 0.4253 62 7 0.7201 0.96 0.7954 63 8 0.7625 0.979 0.8949 64 9 0.297 0.707 0.5134 65 10 0.741 0.745 0.1926 66 11 0.827 0.717 0.8363 67 12 0.193 0.717 0.8807 68 13 0.376 0.785 0.6498 69 14 0.934 0.748 0.9794 70 15 0.645 0.714 0.5628 71 16 0.477 0.747 0.786 72 17 0.111 0.76 0.7436 73 18 0.014 0.767 0.607 74 19 0.564 0.717 0.9269 X-ray density (g/cm cub.) = 4.11 MU (1/cm) = 731.114 Mass attenuation coefficient (cm**2/g) = 178.013 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ti 2.568 6 2.0357 19 1.8561 9 1.9214 15 1.8561 9 1.9214 15 2.0357 19 2 Ti ,V 2.568 6 1.9749 17 2.0363 18 2.1188 11 1.9991 12 1.8906 17 1.9067 10 3 Ti ,Nb 2.568 6 1.9693 13 1.9835 15 1.9656 12 2.0769 16 1.8751 19 2.041 10 4 Ti 2.568 6 2.0001 14 2.0634 9 1.9843 15 1.9414 18 1.895 12 2.0569 14 5 Cr ,Cr 2.628 6 1.8863 10 2.142 11 1.9691 16 2.1082 13 1.8584 16 1.9968 17 6 Cr ,Fe ,Al 2.628 6 2.0598 11 1.895 14 1.9102 19 1.985 9 2.1741 13 2.0701 18 7 Mg ,Mg 2.52 5 1.5912 11 2.1117 16 2.0084 13 2.0658 17 2.2876 10 8 Fe ,Mg 2.592 6 1.7665 11 2.3625 14 2.0649 19 2.1877 9 1.9546 13 2.1672 18 9 O 3.264 12 2.8182 13 2.823 15 2.9558 18 2.7547 14 3.0483 14 2.7356 19 2.8105 19 2.7863 12 2.8603 14 2.774 19 2.5109 15 3.0964 15 10 O 3.264 12 2.9543 11 2.9118 13 2.7 15 2.8297 16 2.9918 17 2.7768 18 2.6352 12 2.9195 12 2.8456 16 2.9034 16 2.8529 17 2.8162 17 11 O 3.264 12 2.9244 12 2.975 14 2.8462 16 2.9434 17 2.7847 19 2.5376 13 3.0439 13 2.6893 17 3.0032 17 2.6277 18 2.9971 18 2.9543 10 12 O 3.264 12 2.9244 11 2.8805 14 2.9671 16 2.8205 17 2.9709 19 2.8285 15 2.8064 15 2.6165 18 2.9873 18 2.7863 9 2.6352 10 2.9195 10 13 O 3.264 12 2.8182 9 2.7898 15 2.8321 16 2.8432 17 2.8877 18 3.0439 11 2.5376 11 2.9761 16 2.6978 16 3.0615 19 2.5587 19 2.9118 10 14 O 3.264 12 2.975 11 2.8805 12 3.0044 19 3.0483 9 2.7547 9 2.8402 18 2.976 18 2.8603 9 2.8512 15 2.625 18 2.6018 14 2.6335 14 15 O 3.264 12 2.823 9 2.7898 13 2.9552 18 2.8064 12 2.8285 12 2.7923 19 2.8145 19 2.7 10 2.8512 14 2.8063 19 2.5109 9 3.0964 9 16 O 3.264 12 2.8462 11 2.9671 12 2.8321 13 2.9145 17 2.8988 19 2.6978 13 2.9761 13 2.734 16 2.734 16 2.8297 10 2.8456 10 2.9034 10 17 O 3.264 12 2.9434 11 2.8205 12 2.8432 13 2.9145 16 2.8277 18 3.0032 11 2.6893 11 2.8677 17 2.8677 17 2.9918 10 2.8529 10 2.8162 10 18 O 3.264 12 2.9558 9 2.8877 13 2.9552 15 2.8277 17 2.9971 11 2.6277 11 2.9873 12 2.6165 12 2.976 14 2.8402 14 2.7768 10 2.625 14 19 O 3.264 12 2.7847 11 2.9709 12 3.0044 14 2.8988 16 2.8105 9 2.7356 9 2.5587 13 3.0615 13 2.8145 15 2.7923 15 2.774 9 2.8063 15 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 2 5.088 10.177 0.05 251.28 2 7.5 5.7 2 1 0 0 6.671 13.342 0.065 145.24 2 4.7 1.3 3 1 0 -2 8.236 16.473 0.08 94.51 2 22.9 19.7 4 1 0 2 8.569 17.138 0.083 87.15 2 8.5 2.5 5 0 0 4 10.217 20.435 0.099 60.65 2 2.4 0.1 6 0 1 1 11.606 23.211 0.112 46.53 4 5.1 1.0 7 1 0 -4 12.008 24.015 0.116 43.33 2 17.2 5.1 8 0 1 2 12.435 24.871 0.12 40.26 4 4.8 0.7 9 1 0 4 12.472 24.944 0.121 40.01 2 9.5 1.4 10 1 1 0 13.181 26.363 0.127 35.61 4 9.2 2.4 11 1 1 -1 13.38 26.759 0.129 34.5 4 3.3 0.3 12 2 0 0 13.435 26.87 0.13 34.2 2 4.5 0.3 13 1 1 1 13.486 26.972 0.13 33.93 4 43.5 51.1 14 0 1 3 13.714 27.428 0.133 32.74 4 208.1 1130.1 15 1 1 -2 14.061 28.122 0.136 31.05 4 6.3 1.0 16 2 0 -2 14.199 28.398 0.137 30.41 2 6.3 0.5 17 1 1 2 14.264 28.527 0.138 30.12 4 3.1 0.2 18 2 0 2 14.598 29.197 0.141 28.66 2 9.4 1.0 19 1 1 -3 15.166 30.331 0.146 26.42 4 2.3 0.1 20 0 1 4 15.338 30.677 0.148 25.78 4 8.5 1.5 21 0 0 6 15.431 30.861 0.149 25.45 2 49.2 24.6 22 1 1 3 15.449 30.898 0.149 25.39 4 12.8 3.3 23 1 0 -6 16.616 33.232 0.16 21.69 2 18.8 3.1 24 1 1 -4 16.618 33.235 0.16 21.69 4 8.9 1.4 25 2 0 -4 16.649 33.298 0.16 21.6 2 14.0 1.7 26 1 1 4 16.965 33.931 0.163 20.73 4 3.4 0.2 27 1 0 6 17.135 34.271 0.165 20.29 2 10.8 0.9 28 0 1 5 17.223 34.446 0.166 20.06 4 8.7 1.2 29 2 0 4 17.337 34.675 0.167 19.78 2 18.9 2.8 30 2 1 0 17.705 35.41 0.17 18.89 4 0.6 0.0 31 2 1 -1 17.816 35.632 0.171 18.63 4 8.7 1.1 32 2 1 1 17.981 35.961 0.173 18.26 4 30.2 13.3 33 2 1 -2 18.308 36.616 0.176 17.55 4 15.4 3.3 34 1 1 -5 18.346 36.691 0.176 17.47 4 285.8 1136.9 35 2 1 2 18.628 37.256 0.179 16.9 4 6.4 0.6 36 1 1 5 18.744 37.488 0.18 16.67 4 45.4 27.3 37 2 1 -3 19.155 38.31 0.183 15.89 4 51.3 33.3 38 0 1 6 19.306 38.611 0.185 15.61 4 3.5 0.1 39 2 1 3 19.616 39.232 0.188 15.07 4 255.3 783.0 40 2 0 -6 20.245 40.49 0.193 14.05 2 12.3 0.8 41 1 1 -6 20.292 40.585 0.194 13.98 4 7.3 0.6 42 2 1 -4 20.32 40.64 0.194 13.93 4 5.1 0.3 43 3 0 0 20.396 40.792 0.195 13.82 2 11.5 0.7 44 1 1 6 20.732 41.464 0.198 13.32 4 2.5 0.1 45 0 0 8 20.779 41.558 0.198 13.26 2 15.7 1.3 46 3 0 -2 20.861 41.722 0.199 13.14 2 231.5 280.6 47 2 1 4 20.904 41.808 0.199 13.08 4 13.9 2.0 48 2 0 6 21.118 42.236 0.201 12.78 2 210.1 224.9 49 3 0 2 21.291 42.581 0.203 12.55 2 32.4 5.3 50 0 1 7 21.545 43.091 0.205 12.22 4 6.0 0.4 51 1 0 -8 21.64 43.28 0.206 12.1 2 185.8 166.4 52 2 1 -5 21.762 43.523 0.207 11.95 4 15.1 2.2 53 1 0 8 22.196 44.391 0.211 11.43 2 94.1 40.3 54 1 1 -7 22.417 44.834 0.213 11.18 4 3.5 0.1 55 2 1 5 22.451 44.902 0.213 11.14 4 7.5 0.5 56 3 0 -4 22.617 45.233 0.215 10.96 2 6.3 0.2 57 1 1 7 22.89 45.781 0.217 10.66 4 16.3 2.2 58 0 2 0 23.107 46.214 0.219 10.44 2 131.9 72.3 59 0 2 1 23.263 46.526 0.221 10.28 4 2.7 0.1 60 3 0 4 23.418 46.836 0.222 10.13 2 37.5 5.7 61 2 1 -6 23.441 46.882 0.222 10.11 4 11.4 1.0 62 3 1 0 23.575 47.151 0.224 9.98 4 12.7 1.3 63 3 1 -1 23.631 47.261 0.224 9.92 4 5.6 0.2 64 0 2 2 23.725 47.45 0.225 9.83 4 3.3 0.1 65 3 1 1 23.826 47.653 0.226 9.74 4 140.8 153.9 66 0 1 8 23.917 47.834 0.227 9.65 4 6.9 0.4 67 3 1 -2 23.991 47.981 0.227 9.59 4 174.4 232.3 68 1 2 0 24.16 48.32 0.229 9.44 4 3.3 0.1 69 2 1 6 24.221 48.443 0.229 9.38 4 175.6 230.6 70 1 2 -1 24.278 48.557 0.23 9.33 4 8.0 0.5 71 1 2 1 24.343 48.685 0.23 9.28 4 8.8 0.6 72 3 1 2 24.377 48.753 0.231 9.25 4 9.9 0.7 73 0 2 3 24.481 48.962 0.232 9.16 4 26.5 5.1 74 2 0 -8 24.588 49.175 0.233 9.07 2 17.1 1.1 75 3 1 -3 24.645 49.29 0.233 9.02 4 24.1 4.2 76 1 1 -8 24.692 49.383 0.234 8.98 4 167.9 201.8 77 1 2 -2 24.695 49.389 0.234 8.98 4 15.6 1.7 78 1 2 2 24.821 49.642 0.235 8.87 4 2.5 0.0 79 1 1 8 25.195 50.389 0.238 8.58 4 10.8 0.8 80 3 1 3 25.211 50.422 0.238 8.56 4 13.9 1.3 81 2 1 -7 25.325 50.65 0.239 8.48 4 28.0 5.3 82 1 2 -3 25.398 50.795 0.24 8.42 4 25.6 4.4 83 3 0 -6 25.453 50.906 0.24 8.38 2 3.8 0.0 84 0 2 4 25.511 51.021 0.241 8.34 4 2.9 0.1 85 3 1 -4 25.578 51.155 0.241 8.29 4 10.9 0.8 86 1 2 3 25.583 51.167 0.241 8.28 4 6.4 0.3 87 2 0 8 25.589 51.179 0.241 8.28 2 8.5 0.2 88 2 1 7 26.185 52.37 0.247 7.86 4 9.8 0.6 89 3 1 4 26.311 52.622 0.248 7.77 4 11.5 0.8 90 0 0 10 26.325 52.649 0.248 7.76 2 9.6 0.3 91 1 2 -4 26.371 52.743 0.248 7.73 4 16.9 1.8 92 0 1 9 26.407 52.813 0.249 7.71 4 18.5 2.1 93 3 0 6 26.551 53.102 0.25 7.61 2 7.2 0.2 94 1 2 4 26.612 53.224 0.25 7.57 4 9.4 0.5 95 3 1 -5 26.767 53.535 0.252 7.47 4 132.9 105.1 96 0 2 5 26.792 53.585 0.252 7.46 4 14.0 1.2 97 1 0 -10 26.989 53.978 0.254 7.33 2 33.1 3.2 98 1 1 -9 27.099 54.199 0.255 7.27 4 19.8 2.3 99 2 2 0 27.134 54.268 0.255 7.24 4 1.2 0.0 100 2 2 -1 27.213 54.427 0.256 7.2 4 13.7 1.1 101 2 2 1 27.331 54.663 0.257 7.13 4 2.9 0.0 102 2 1 -8 27.389 54.778 0.257 7.09 4 3.5 0.1 103 2 2 -2 27.568 55.137 0.259 6.99 4 8.6 0.4 104 1 0 10 27.579 55.158 0.259 6.98 2 21.0 1.2 105 1 2 -5 27.596 55.191 0.259 6.97 4 33.1 6.1 106 1 1 9 27.629 55.259 0.259 6.95 4 3.4 0.1 107 3 1 5 27.654 55.308 0.259 6.94 4 8.6 0.4 108 4 0 0 27.689 55.379 0.26 6.92 2 18.5 0.9 109 2 2 2 27.802 55.604 0.261 6.85 4 13.2 1.0 110 1 2 5 27.887 55.775 0.261 6.81 4 6.3 0.2 111 4 0 -2 28.002 56.004 0.262 6.74 2 7.2 0.1 112 2 2 -3 28.192 56.383 0.264 6.64 4 13.0 0.9 113 3 1 -6 28.193 56.386 0.264 6.64 4 3.7 0.1 114 0 2 6 28.304 56.608 0.265 6.58 4 45.4 10.8 115 2 1 8 28.32 56.641 0.265 6.57 4 18.2 1.7 116 4 0 2 28.464 56.927 0.266 6.5 2 20.6 1.1 117 2 2 3 28.537 57.073 0.267 6.46 4 22.0 2.5 118 0 1 10 29.008 58.016 0.271 6.23 4 9.7 0.5 119 1 2 -6 29.051 58.102 0.271 6.21 4 12.0 0.7 120 2 2 -4 29.072 58.144 0.272 6.2 4 0.3 0.0 121 3 0 -8 29.149 58.297 0.272 6.16 2 61.3 9.2 122 3 1 6 29.22 58.441 0.273 6.13 4 9.1 0.4 123 4 0 -4 29.379 58.758 0.274 6.05 2 24.2 1.4 124 1 2 6 29.389 58.779 0.274 6.05 4 2.4 0.0 125 2 0 -10 29.484 58.968 0.275 6.0 2 95.1 21.6 126 2 2 4 29.523 59.046 0.275 5.98 4 4.9 0.1 127 2 1 -9 29.616 59.232 0.276 5.94 4 33.0 5.1 128 1 1 -10 29.632 59.264 0.276 5.94 4 10.9 0.6 129 3 1 -7 29.835 59.67 0.278 5.85 4 23.6 2.6 130 0 2 7 30.025 60.05 0.28 5.76 4 5.6 0.1 131 1 1 10 30.188 60.376 0.281 5.69 4 7.0 0.2 132 2 2 -5 30.196 60.392 0.281 5.69 4 2.8 0.0 133 4 0 4 30.271 60.542 0.282 5.66 2 16.6 0.6 134 4 1 0 30.292 60.585 0.282 5.65 4 2.1 0.0 135 4 1 -1 30.311 60.622 0.282 5.64 4 18.8 1.6 136 3 0 8 30.486 60.973 0.284 5.57 2 24.1 1.3 137 4 1 1 30.531 61.063 0.284 5.55 4 9.0 0.4 138 4 1 -2 30.588 61.176 0.284 5.53 4 9.3 0.4 139 2 0 10 30.594 61.187 0.284 5.53 2 2.5 0.0 140 2 1 9 30.613 61.227 0.285 5.52 4 42.0 7.7 141 1 2 -7 30.718 61.437 0.286 5.48 4 6.9 0.2 142 2 2 5 30.746 61.492 0.286 5.47 4 1.8 0.0 143 3 1 7 30.992 61.983 0.288 5.37 4 6.2 0.2 144 4 1 2 31.025 62.051 0.288 5.36 4 0.0 0.0 145 1 2 7 31.1 62.201 0.289 5.33 4 0.5 0.0 146 4 1 -3 31.119 62.237 0.289 5.32 4 24.2 2.5 147 2 2 -6 31.549 63.097 0.292 5.16 4 0.4 0.0 148 3 2 0 31.659 63.318 0.293 5.12 4 14.9 0.9 149 3 1 -8 31.676 63.353 0.294 5.12 4 5.9 0.1 150 3 2 -1 31.704 63.408 0.294 5.11 4 10.2 0.4 151 0 1 11 31.721 63.443 0.294 5.1 4 18.3 1.4 152 4 0 -6 31.734 63.468 0.294 5.1 2 29.0 1.7 153 4 1 3 31.767 63.534 0.294 5.09 4 53.3 11.5 154 3 2 1 31.865 63.731 0.295 5.05 4 19.8 1.6 155 4 1 -4 31.896 63.792 0.295 5.04 4 4.4 0.1 156 0 2 8 31.94 63.88 0.296 5.03 4 12.0 0.6 157 2 1 -10 31.996 63.991 0.296 5.01 4 4.5 0.1 158 3 2 -2 32.001 64.002 0.296 5.01 4 352.2 494.8 159 0 0 12 32.151 64.301 0.297 4.96 2 10.5 0.2 160 2 2 6 32.192 64.384 0.298 4.94 4 316.7 395.0 161 1 1 -11 32.287 64.575 0.299 4.91 4 15.4 0.9 162 3 2 2 32.321 64.642 0.299 4.9 4 13.3 0.7 163 3 2 -3 32.545 65.09 0.301 4.83 4 1.5 0.0 164 1 2 -8 32.584 65.167 0.301 4.81 4 321.2 395.8 165 1 0 -12 32.686 65.372 0.302 4.78 2 13.7 0.4 166 4 1 4 32.747 65.494 0.302 4.76 4 5.8 0.1 167 1 1 11 32.87 65.741 0.303 4.72 4 283.2 301.8 168 4 1 -5 32.91 65.821 0.304 4.71 4 17.4 1.1 169 3 1 8 32.954 65.907 0.304 4.7 4 1.0 0.0 170 1 2 8 33.006 66.012 0.305 4.68 4 96.5 34.8 171 4 0 6 33.01 66.02 0.305 4.68 2 88.5 14.6 172 3 2 3 33.02 66.04 0.305 4.68 4 6.8 0.2 173 2 1 10 33.056 66.113 0.305 4.67 4 5.3 0.1 174 2 2 -7 33.116 66.232 0.305 4.65 4 9.7 0.4 175 1 0 12 33.318 66.635 0.307 4.59 2 0.6 0.0 176 3 2 -4 33.33 66.66 0.307 4.59 4 18.4 1.2 177 3 0 -10 33.555 67.111 0.309 4.52 2 8.3 0.1 178 3 1 -9 33.704 67.409 0.31 4.48 4 19.6 1.4 179 2 2 7 33.848 67.695 0.311 4.44 4 4.8 0.1 180 3 2 4 33.956 67.911 0.312 4.41 4 25.3 2.3 181 4 1 5 33.956 67.912 0.312 4.41 4 3.8 0.0 182 0 2 9 34.038 68.076 0.313 4.39 4 3.2 0.0 183 4 1 -6 34.152 68.304 0.314 4.36 4 1.8 0.0 184 3 2 -5 34.348 68.697 0.315 4.31 4 19.2 1.3 185 2 1 -11 34.524 69.048 0.317 4.26 4 5.1 0.1 186 0 1 12 34.553 69.107 0.317 4.25 4 5.1 0.1 187 1 2 -9 34.636 69.271 0.318 4.23 4 18.7 1.2 188 2 0 -12 34.884 69.768 0.32 4.17 2 24.9 1.0 189 2 2 -8 34.887 69.775 0.32 4.17 4 4.1 0.1 190 4 0 -8 34.961 69.923 0.32 4.15 2 16.3 0.4 191 1 1 -12 35.07 70.141 0.321 4.13 4 6.2 0.1 192 1 2 9 35.097 70.194 0.321 4.12 4 4.4 0.1 193 3 1 9 35.097 70.194 0.321 4.12 4 8.2 0.2 194 3 0 10 35.104 70.208 0.321 4.12 2 1.5 0.0 195 3 2 5 35.119 70.237 0.322 4.12 4 13.0 0.6 196 4 1 6 35.384 70.767 0.324 4.06 4 11.3 0.4 197 5 0 0 35.51 71.02 0.325 4.03 2 0.4 0.0 198 3 2 -6 35.591 71.182 0.325 4.01 4 16.9 0.9 199 4 1 -7 35.611 71.221 0.325 4.0 4 216.2 149.1 200 2 1 11 35.648 71.297 0.326 4.0 4 14.5 0.7 201 1 1 12 35.682 71.363 0.326 3.99 4 8.1 0.2 202 2 2 8 35.703 71.406 0.326 3.98 4 15.0 0.7 203 5 0 -2 35.732 71.465 0.326 3.98 2 19.4 0.6 204 3 1 -10 35.912 71.824 0.328 3.94 4 7.4 0.2 205 2 0 12 36.105 72.209 0.329 3.9 2 45.8 3.3 206 0 3 1 36.182 72.363 0.33 3.88 4 13.6 0.6 207 5 0 2 36.238 72.476 0.33 3.87 2 13.7 0.3 208 0 2 10 36.312 72.623 0.331 3.85 4 16.5 0.8 209 3 2 6 36.501 73.001 0.333 3.82 4 5.9 0.1 210 0 3 2 36.536 73.071 0.333 3.81 4 26.2 2.1 211 4 0 8 36.584 73.167 0.333 3.8 2 9.6 0.1 212 2 2 -9 36.854 73.708 0.335 3.75 4 15.1 0.7 213 1 2 -10 36.868 73.736 0.335 3.74 4 1.9 0.0 214 1 3 0 36.872 73.745 0.335 3.74 4 15.9 0.8 215 5 0 -4 36.897 73.794 0.336 3.74 2 0.5 0.0 216 1 3 -1 36.965 73.929 0.336 3.73 4 19.2 1.1 217 1 3 1 37.015 74.029 0.337 3.72 4 23.0 1.6 218 4 1 7 37.021 74.043 0.337 3.72 4 13.6 0.5 219 3 2 -7 37.05 74.101 0.337 3.71 4 12.2 0.4 220 0 3 3 37.123 74.246 0.337 3.7 4 87.2 22.4 221 2 1 -12 37.203 74.407 0.338 3.68 4 5.7 0.1 222 4 1 -8 37.279 74.557 0.339 3.67 4 6.4 0.1 223 1 3 -2 37.291 74.582 0.339 3.67 4 7.4 0.2 224 1 2 10 37.368 74.736 0.339 3.65 4 10.9 0.3 225 1 3 2 37.39 74.781 0.339 3.65 4 4.3 0.1 226 3 1 10 37.418 74.835 0.34 3.64 4 7.6 0.2 227 4 2 0 37.462 74.923 0.34 3.64 4 16.1 0.8 228 4 2 -1 37.479 74.958 0.34 3.63 4 5.3 0.1 229 0 1 13 37.515 75.03 0.34 3.63 4 3.8 0.0 230 4 2 1 37.678 75.356 0.342 3.6 4 2.1 0.0 231 4 2 -2 37.729 75.458 0.342 3.59 4 9.1 0.2 232 2 2 9 37.752 75.504 0.342 3.59 4 17.7 0.9 233 5 1 -1 37.806 75.612 0.343 3.58 4 19.3 1.1 234 5 1 0 37.814 75.628 0.343 3.58 4 20.7 1.2 235 1 3 -3 37.849 75.698 0.343 3.57 4 7.8 0.2 236 5 0 4 37.894 75.787 0.343 3.56 2 350.6 174.4 237 0 3 4 37.939 75.878 0.344 3.55 4 12.0 0.4 238 1 1 -13 37.991 75.982 0.344 3.55 4 25.6 1.9 239 1 3 3 37.998 75.995 0.344 3.54 4 6.6 0.1 240 5 1 -2 38.031 76.061 0.344 3.54 4 6.3 0.1 241 5 1 1 38.054 76.108 0.345 3.54 4 199.2 111.8 242 3 2 7 38.095 76.19 0.345 3.53 4 8.4 0.2 243 4 2 2 38.126 76.251 0.345 3.52 4 16.6 0.8 244 4 2 -3 38.211 76.421 0.346 3.51 4 3.7 0.0 245 3 1 -11 38.296 76.593 0.346 3.5 4 30.6 2.6 246 0 0 14 38.377 76.755 0.347 3.48 2 10.0 0.1 247 2 1 12 38.395 76.79 0.347 3.48 4 0.5 0.0 248 5 1 -3 38.486 76.973 0.348 3.47 4 14.8 0.6 249 5 1 2 38.525 77.05 0.348 3.46 4 4.8 0.1 250 3 0 -12 38.618 77.236 0.349 3.45 2 13.4 0.2 251 1 1 13 38.634 77.267 0.349 3.44 4 2.7 0.0 252 1 3 -4 38.635 77.27 0.349 3.44 4 15.1 0.6 253 3 2 -8 38.72 77.44 0.35 3.43 4 48.8 6.5 254 0 2 11 38.761 77.522 0.35 3.42 4 11.7 0.4 255 4 2 3 38.803 77.606 0.35 3.42 4 8.7 0.2 256 1 0 -14 38.825 77.65 0.35 3.42 2 54.1 4.0 257 1 3 4 38.832 77.665 0.351 3.41 4 5.1 0.1 258 4 1 8 38.864 77.727 0.351 3.41 4 6.3 0.1 259 4 2 -4 38.921 77.842 0.351 3.4 4 19.2 1.0 260 5 0 -6 38.973 77.947 0.352 3.39 2 12.5 0.2 261 0 3 5 38.98 77.961 0.352 3.39 4 27.0 2.0 262 4 0 -10 38.985 77.971 0.352 3.39 2 330.6 147.7 263 2 2 -10 39.013 78.025 0.352 3.39 4 81.0 17.7 264 4 1 -9 39.15 78.301 0.353 3.37 4 10.1 0.3 265 5 1 -4 39.171 78.342 0.353 3.37 4 1.4 0.0 266 5 1 3 39.225 78.449 0.353 3.36 4 12.8 0.4 267 2 3 0 39.262 78.525 0.354 3.35 4 17.1 0.8 268 1 2 -11 39.281 78.562 0.354 3.35 4 16.8 0.8 269 2 3 -1 39.328 78.656 0.354 3.34 4 8.8 0.2 270 2 3 1 39.426 78.852 0.355 3.33 4 0.3 0.0 271 1 0 14 39.512 79.025 0.356 3.32 2 263.8 92.0 272 2 3 -2 39.624 79.247 0.356 3.3 4 7.8 0.2 273 1 3 -5 39.646 79.293 0.357 3.3 4 191.2 96.2 274 4 2 4 39.706 79.412 0.357 3.29 4 6.8 0.1 275 2 3 2 39.819 79.638 0.358 3.28 4 19.5 1.0 276 1 2 11 39.82 79.64 0.358 3.28 4 9.3 0.2 277 4 2 -5 39.857 79.714 0.358 3.27 4 3.8 0.0 278 1 3 5 39.891 79.782 0.358 3.27 4 31.9 2.7 279 3 2 8 39.897 79.794 0.359 3.27 4 22.3 1.3 280 3 1 11 39.918 79.835 0.359 3.27 4 10.9 0.3 281 2 2 10 39.992 79.985 0.359 3.26 4 8.9 0.2 282 2 1 -13 40.043 80.087 0.36 3.25 4 222.1 127.8 283 5 1 -5 40.081 80.161 0.36 3.24 4 47.8 5.9 284 2 3 -3 40.147 80.294 0.36 3.24 4 39.9 4.1 285 5 1 4 40.149 80.299 0.36 3.24 4 6.9 0.1 286 0 3 6 40.242 80.484 0.361 3.22 4 14.1 0.5 287 3 0 12 40.382 80.763 0.362 3.21 2 5.1 0.0 288 2 3 3 40.44 80.879 0.363 3.2 4 212.7 115.4 289 5 0 6 40.441 80.882 0.363 3.2 2 9.7 0.1 290 3 2 -9 40.596 81.192 0.364 3.18 4 1.5 0.0 291 0 1 14 40.625 81.251 0.364 3.18 4 6.5 0.1 292 4 2 5 40.831 81.663 0.365 3.16 4 6.7 0.1 293 2 0 -14 40.841 81.683 0.366 3.16 2 37.4 1.8 294 3 1 -12 40.862 81.725 0.366 3.15 4 0.1 0.0 295 1 3 -6 40.879 81.757 0.366 3.15 4 23.6 1.4 296 2 3 -4 40.897 81.794 0.366 3.15 4 8.1 0.2 297 4 1 9 40.908 81.816 0.366 3.15 4 231.2 134.1 298 4 0 10 40.939 81.878 0.366 3.14 2 10.4 0.1 299 4 2 -6 41.015 82.03 0.367 3.14 4 27.2 1.9 300 1 1 -14 41.067 82.133 0.367 3.13 4 7.1 0.1 301 1 3 6 41.17 82.34 0.368 3.12 4 16.0 0.6 302 5 1 -6 41.213 82.426 0.368 3.12 4 6.8 0.1 303 4 1 -10 41.225 82.449 0.368 3.11 4 6.3 0.1 304 2 3 4 41.285 82.57 0.369 3.11 4 3.1 0.0 305 5 1 5 41.297 82.593 0.369 3.11 4 11.8 0.3 306 2 1 13 41.308 82.616 0.369 3.11 4 4.0 0.0 307 2 2 -11 41.365 82.729 0.369 3.1 4 9.4 0.2 308 0 2 12 41.392 82.784 0.37 3.1 4 14.7 0.5 309 0 3 7 41.721 83.443 0.372 3.06 4 10.7 0.3 310 1 1 14 41.745 83.49 0.372 3.06 4 11.3 0.3 311 2 3 -5 41.871 83.741 0.373 3.05 4 10.4 0.3 312 1 2 -12 41.88 83.761 0.373 3.05 4 2.1 0.0 313 3 2 9 41.905 83.811 0.373 3.05 4 8.6 0.2 314 5 0 -8 41.926 83.853 0.374 3.05 2 4.9 0.0 315 4 2 6 42.177 84.354 0.375 3.02 4 58.7 8.3 316 2 0 14 42.198 84.395 0.375 3.02 2 4.4 0.0 317 1 3 -7 42.33 84.659 0.376 3.01 4 10.8 0.3 318 2 3 5 42.354 84.708 0.377 3.01 4 4.7 0.1 319 4 2 -7 42.393 84.785 0.377 3.0 4 10.1 0.2 320 2 2 11 42.429 84.857 0.377 3.0 4 2.6 0.0 321 1 2 12 42.46 84.92 0.377 3.0 4 30.6 2.2 322 5 1 -7 42.566 85.131 0.378 2.99 4 17.9 0.8 323 3 1 12 42.605 85.21 0.378 2.99 4 3.7 0.0 324 5 1 6 42.664 85.328 0.379 2.98 4 6.5 0.1 325 1 3 7 42.668 85.335 0.379 2.98 4 7.0 0.1 326 3 2 -10 42.679 85.359 0.379 2.98 4 7.6 0.1 327 2 1 -14 43.061 86.121 0.382 2.95 4 11.1 0.3 328 2 3 -6 43.067 86.134 0.382 2.95 4 3.5 0.0 329 4 1 10 43.158 86.315 0.382 2.94 4 13.5 0.4 330 3 3 0 43.165 86.331 0.382 2.94 4 10.0 0.2 331 3 3 -1 43.206 86.412 0.383 2.94 4 4.4 0.0 332 3 3 1 43.351 86.701 0.384 2.93 4 135.1 42.6 333 0 3 8 43.418 86.836 0.384 2.92 4 12.4 0.4 334 3 3 -2 43.472 86.945 0.385 2.92 4 80.6 15.1 335 4 1 -11 43.505 87.01 0.385 2.92 4 17.9 0.7 336 3 1 -13 43.621 87.242 0.386 2.91 4 19.7 0.9 337 2 3 6 43.645 87.29 0.386 2.91 4 85.4 16.9 338 4 2 7 43.742 87.484 0.386 2.9 4 19.6 0.9 339 3 3 2 43.761 87.522 0.387 2.9 4 14.3 0.5 340 4 0 -12 43.794 87.589 0.387 2.9 2 17.0 0.3 341 5 0 8 43.855 87.71 0.387 2.89 2 20.3 0.5 342 0 1 15 43.91 87.819 0.388 2.89 4 26.0 1.6 343 2 2 -12 43.917 87.835 0.388 2.89 4 20.9 1.0 344 3 3 -3 43.964 87.928 0.388 2.89 4 6.1 0.1 345 4 2 -8 43.99 87.98 0.388 2.89 4 30.3 2.1 346 1 3 -8 43.999 87.999 0.388 2.88 4 70.2 11.3 347 3 2 10 44.124 88.249 0.389 2.88 4 11.1 0.3 348 5 1 -8 44.138 88.277 0.389 2.88 4 2.8 0.0 349 6 0 0 44.188 88.376 0.39 2.87 2 22.7 0.6 350 0 2 13 44.219 88.437 0.39 2.87 4 8.6 0.2 351 5 1 7 44.251 88.503 0.39 2.87 4 49.4 5.6 352 1 1 -15 44.322 88.645 0.391 2.86 4 6.0 0.1 353 6 0 -2 44.35 88.701 0.391 2.86 2 28.1 0.9 354 1 3 8 44.384 88.768 0.391 2.86 4 8.6 0.2 355 3 0 -14 44.385 88.771 0.391 2.86 2 21.1 0.5 356 3 3 3 44.397 88.794 0.391 2.86 4 9.1 0.2 357 2 1 14 44.408 88.817 0.391 2.86 4 12.8 0.4 358 2 3 -7 44.485 88.97 0.392 2.86 4 21.2 1.0 359 5 2 -1 44.5 89.0 0.392 2.85 4 2.3 0.0 360 5 2 0 44.507 89.015 0.392 2.85 4 9.4 0.2 361 1 2 -13 44.679 89.359 0.393 2.84 4 10.0 0.2 362 3 3 -4 44.681 89.362 0.393 2.84 4 19.9 0.9 363 5 2 -2 44.718 89.436 0.393 2.84 4 4.0 0.0 364 5 2 1 44.74 89.481 0.393 2.84 4 13.5 0.4 365 6 0 2 44.927 89.855 0.395 2.83 2 16.7 0.3 366 3 2 -11 44.976 89.952 0.395 2.83 4 6.2 0.1 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 1 0 -2 8.236 16.473 6.24379 19.7 1.7 1.8 5.6 2 1 1 1 13.486 26.972 3.83545 51.1 4.5 4.5 5.6 3 0 1 3 13.714 27.428 3.77293 1130.1 99.4 100.2 5.6 4 0 0 6 15.431 30.861 3.36171 27.9 2.5 2.5 5.6 5 2 1 1 17.981 35.961 2.89756 13.3 1.2 1.2 5.7 6 1 1 -5 18.346 36.691 2.84184 1136.9 100.0 100.0 5.7 7 1 1 5 18.744 37.488 2.78351 27.3 2.4 2.4 5.7 8 2 1 -3 19.155 38.31 2.72595 33.3 2.9 2.9 5.7 9 2 1 3 19.616 39.232 2.66437 783.0 68.9 68.7 5.7 10 3 0 -2 20.861 41.722 2.51183 280.6 24.7 24.6 5.7 11 2 0 6 21.118 42.236 2.48259 224.9 19.8 19.7 5.7 12 1 0 -8 21.64 43.28 2.42548 166.4 14.6 14.5 5.7 13 1 0 8 22.196 44.391 2.36774 40.3 3.5 3.5 5.7 14 0 2 0 23.107 46.214 2.27915 72.3 6.4 6.3 5.7 15 3 1 1 23.826 47.653 2.2142 153.9 13.5 13.4 5.7 16 3 1 -2 23.991 47.981 2.19993 232.3 20.4 20.2 5.7 17 2 1 6 24.221 48.443 2.18021 230.6 20.3 20.0 5.7 18 1 1 -8 24.692 49.383 2.14122 203.5 17.9 17.7 5.7 19 3 1 -5 26.767 53.535 1.98606 106.3 9.3 9.2 5.8 20 0 2 6 28.304 56.608 1.88647 12.5 1.1 1.1 5.8 21 2 0 -10 29.484 58.968 1.81734 21.6 1.9 1.9 5.8 22 4 1 3 31.767 63.534 1.69899 11.5 1.0 1.0 5.9 23 3 2 -2 32.001 64.002 1.68788 494.8 43.5 42.1 5.9 24 2 2 6 32.192 64.384 1.67892 395.0 34.7 33.6 5.9 25 1 2 -8 32.584 65.167 1.66093 395.8 34.8 33.6 5.9 26 1 1 11 32.87 65.741 1.64805 301.8 26.5 25.6 5.9 27 1 2 8 33.006 66.012 1.64203 49.6 4.4 4.2 5.9 28 4 1 -7 35.611 71.221 1.53615 149.1 13.1 12.5 5.9 29 0 3 3 37.123 74.246 1.48206 22.4 2.0 1.9 6.0 30 5 0 4 37.894 75.787 1.4563 174.4 15.3 14.5 6.0 31 5 1 1 38.054 76.108 1.45109 111.8 9.8 9.3 6.0 32 4 0 -10 38.985 77.971 1.42176 167.4 14.7 13.9 6.0 33 1 0 14 39.512 79.025 1.40584 92.0 8.1 7.6 6.0 34 1 3 -5 39.646 79.293 1.40187 96.2 8.5 7.9 6.0 35 2 1 -13 40.043 80.087 1.39028 127.8 11.2 10.5 6.0 36 2 3 3 40.44 80.879 1.37896 115.5 10.2 9.5 6.1 37 4 1 9 40.908 81.816 1.36591 135.6 11.9 11.1 6.1 38 3 3 1 43.351 86.701 1.303 42.6 3.7 3.5 6.1 39 3 3 -2 43.472 86.945 1.30008 15.1 1.3 1.2 6.1 40 2 3 6 43.645 87.29 1.29597 16.9 1.5 1.4 6.2 41 1 3 -8 43.999 87.999 1.28764 13.4 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) |