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 *** *********************** PETERSITE-(CE) 1, t-mixite Cu(6)Ce[PO(4)](3)(OH)(6).3H(2)O Hexagonal P 6(3)/m Z = 2 R =0.0424 NR =754 20 .11 .19 Ref.Str.: Morrison S.M., Domanik K.J., Yang H., Downs R.T. (2016) * Canad. Mineral., 54, 1505-1511 L: $Cu2+6.05 Ce0.18 Y0.16 La0.12 Nd0.09 Gd0.03 Pr0.02 Dy0.01 Sm0.01 Ca0.42 P2.86 Si0.14 O21$ R: Locality - the Cherry Creek District of Yavapai County, Arizona, USA. IMA2014-002. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 13.2197 alpha = 90.0 b = 13.2197 beta = 90.0 c = 5.8591 gamma = 120.0 Unit cell volume (cub. angs.) = 886.76 Molar volume ( cub.cm/mol.) = 267.06 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.6667 0.3333 0.25 0.0 Ce = 0.56, Ca = 0.44 2 0.412 0.3149 0.5033 0.0 Cu = 1.00 3 0.4931 0.1487 0.75 0.0 P = 1.00 4 0.3904 0.4042 0.25 0.0 O = 1.00 5 0.4179 0.2105 0.75 0.0 O = 1.00 6 0.5667 0.1784 0.5355 0.0 O = 1.00 7 0.3641 0.3747 0.75 0.0 OH = 1.00 8 0.4447 0.248 0.25 0.0 OH = 1.00 9 0.132 0.16 0.124 0.0 H(2)O = 0.5 , H(2)O = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.6667 0.3333 0.25 2 2 0.412 0.3149 0.5033 3 3 0.4931 0.1487 0.75 4 4 0.3904 0.4042 0.25 5 5 0.4179 0.2105 0.75 6 6 0.5667 0.1784 0.5355 7 7 0.3641 0.3747 0.75 8 8 0.4447 0.248 0.25 9 9 0.132 0.16 0.124 10 2 0.6851 0.0971 0.5033 11 2 0.9029 0.588 0.5033 12 3 0.8513 0.3444 0.75 13 3 0.6556 0.5069 0.75 14 4 0.5958 0.9862 0.25 15 4 0.0138 0.6096 0.25 16 5 0.7895 0.2074 0.75 17 5 0.7926 0.5821 0.75 18 6 0.8216 0.3883 0.5355 19 6 0.6117 0.4333 0.5355 20 7 0.6253 0.9894 0.75 21 7 0.0106 0.6359 0.75 22 8 0.752 0.1967 0.25 23 8 0.8033 0.5553 0.25 24 9 0.84 0.972 0.124 25 9 0.028 0.868 0.124 26 1 0.3333 0.6667 0.75 27 2 0.588 0.6851 0.0033 28 3 0.5069 0.8513 0.25 29 4 0.6096 0.5958 0.75 30 5 0.5821 0.7895 0.25 31 6 0.4333 0.8216 0.0355 32 7 0.6359 0.6253 0.25 33 8 0.5553 0.752 0.75 34 9 0.868 0.84 0.624 35 2 0.3149 0.9029 0.0033 36 2 0.0971 0.412 0.0033 37 3 0.1487 0.6556 0.25 38 3 0.3444 0.4931 0.25 39 4 0.4042 0.0138 0.75 40 4 0.9862 0.3904 0.75 41 5 0.2105 0.7926 0.25 42 5 0.2074 0.4179 0.25 43 6 0.1784 0.6117 0.0355 44 6 0.3883 0.5667 0.0355 45 7 0.3747 0.0106 0.25 46 7 0.9894 0.3641 0.25 47 8 0.248 0.8033 0.75 48 8 0.1967 0.4447 0.75 49 9 0.16 0.028 0.624 50 9 0.972 0.132 0.624 51 2 0.412 0.3149 0.9967 52 6 0.5667 0.1784 0.9645 53 9 0.132 0.16 0.376 54 2 0.6851 0.0971 0.9967 55 2 0.9029 0.588 0.9967 56 6 0.8216 0.3883 0.9645 57 6 0.6117 0.4333 0.9645 58 9 0.84 0.972 0.376 59 9 0.028 0.868 0.376 60 2 0.588 0.6851 0.4967 61 6 0.4333 0.8216 0.4645 62 9 0.868 0.84 0.876 63 2 0.3149 0.9029 0.4967 64 2 0.0971 0.412 0.4967 65 6 0.1784 0.6117 0.4645 66 6 0.3883 0.5667 0.4645 67 9 0.16 0.028 0.876 68 9 0.972 0.132 0.876 X-ray density (g/cm cub.) = 3.44 MU (1/cm) = 231.028 Mass attenuation coefficient (cm**2/g) = 67.162 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ce ,Ca 3.048 9 2.456 6 2.5642 8 2.4559 6 2.4567 6 2.5631 8 2.564 8 2.456 6 2.4559 6 2.4567 6 2 Cu 2.976 5 2.0037 4 2.0268 5 1.9015 7 1.8852 8 2.3072 6 3 P 2.4 4 1.571 5 1.516 6 1.5701 4 1.516 6 4 O 3.432 11 2.9529 7 2.9529 7 2.5023 8 3.407 9 3.2218 6 3.0968 7 2.5148 5 2.501 6 3.407 9 3.2218 6 2.501 6 5 O 3.432 10 2.5424 6 2.6003 7 2.9628 8 2.9628 8 3.0451 6 2.5145 4 3.1247 9 2.5424 6 3.0451 6 3.1247 9 6 O 3.432 12 2.5424 5 2.7803 8 3.2218 4 3.0451 5 3.1151 6 3.1151 6 3.2185 7 2.8749 8 2.5009 4 2.9207 7 2.5136 6 3.3455 6 7 OH 3.48 9 2.9529 4 2.9529 4 2.6003 5 3.2185 6 3.0968 4 2.9208 6 2.7932 8 3.2185 6 2.9208 6 8 OH 3.48 8 2.5023 4 2.9628 5 2.9628 5 2.7803 6 2.8749 6 2.793 7 2.7803 6 2.8749 6 9 H(2)O,H(2)O 3.6 11 3.407 4 3.3888 9 3.3888 9 3.1248 5 3.5227 9 3.5227 9 3.5229 9 3.5229 9 1.4765 9 2.437 9 2.4372 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 1 0 0 3.858 7.716 0.044 438.82 6 148.7 7399.8 2 1 1 0 6.692 13.384 0.076 144.31 6 14.9 24.3 3 2 0 0 7.733 15.467 0.087 107.5 6 2.2 0.4 4 1 0 1 8.493 16.985 0.096 88.76 12 6.7 6.1 5 1 1 1 10.118 20.237 0.114 61.89 12 31.7 95.0 6 1 2 0 10.254 20.508 0.116 60.2 6 206.7 1963.2 7 2 1 0 10.254 20.508 0.116 60.2 6 60.0 165.5 8 2 0 1 10.843 21.687 0.122 53.61 12 72.3 427.5 9 3 0 0 11.645 23.29 0.131 46.2 6 107.9 410.6 10 1 2 1 12.785 25.57 0.144 37.98 12 107.0 663.4 11 2 1 1 12.785 25.57 0.144 37.98 12 64.7 242.3 12 2 2 0 13.478 26.956 0.151 33.97 6 105.4 288.2 13 3 0 1 13.939 27.877 0.156 31.63 12 28.0 37.9 14 1 3 0 14.039 28.079 0.157 31.15 6 0.0 0.0 15 3 1 0 14.039 28.079 0.157 31.15 6 149.7 532.8 16 0 0 2 15.244 30.489 0.171 26.12 2 73.3 35.7 17 2 2 1 15.521 31.042 0.174 25.13 12 100.7 388.7 18 4 0 0 15.612 31.225 0.175 24.82 6 220.0 916.3 19 1 0 2 15.748 31.496 0.176 24.36 12 9.7 3.5 20 1 3 1 16.017 32.034 0.179 23.49 12 65.7 154.8 21 3 1 1 16.017 32.034 0.179 23.49 12 67.1 161.2 22 1 1 2 16.714 33.429 0.187 21.42 12 95.4 297.1 23 2 3 0 17.054 34.108 0.19 20.5 6 177.1 490.7 24 3 2 0 17.054 34.108 0.19 20.5 6 129.3 261.6 25 2 0 2 17.18 34.359 0.192 20.17 12 37.5 43.3 26 4 0 1 17.429 34.858 0.194 19.55 12 53.0 83.7 27 1 4 0 17.958 35.916 0.2 18.31 6 32.4 14.6 28 4 1 0 17.958 35.916 0.2 18.31 6 250.9 879.7 29 1 2 2 18.513 37.027 0.206 17.13 12 237.5 1474.5 30 2 1 2 18.513 37.027 0.206 17.13 12 148.7 577.6 31 2 3 1 18.747 37.494 0.209 16.66 12 68.1 118.0 32 3 2 1 18.747 37.494 0.209 16.66 12 55.6 78.6 33 3 0 2 19.358 38.717 0.215 15.52 12 1.0 0.0 34 1 4 1 19.584 39.167 0.218 15.13 12 30.0 20.7 35 4 1 1 19.584 39.167 0.218 15.13 12 22.5 11.6 36 5 0 0 19.658 39.316 0.218 15.0 6 4.8 0.3 37 3 3 0 20.463 40.926 0.227 13.72 6 0.0 0.0 38 2 2 2 20.571 41.141 0.228 13.56 12 124.0 318.0 39 2 4 0 20.856 41.712 0.231 13.15 6 108.3 117.6 40 4 2 0 20.856 41.712 0.231 13.15 6 17.4 3.0 41 1 3 2 20.962 41.924 0.232 13.0 12 67.5 90.3 42 3 1 2 20.962 41.924 0.232 13.0 12 49.6 48.8 43 5 0 1 21.173 42.346 0.234 12.71 12 11.8 2.7 44 3 3 1 21.932 43.864 0.242 11.74 12 6.3 0.7 45 1 5 0 22.0 44.0 0.243 11.66 6 93.1 77.1 46 5 1 0 22.0 44.0 0.243 11.66 6 146.4 190.9 47 4 0 2 22.102 44.203 0.244 11.54 12 111.9 220.4 48 2 4 1 22.304 44.608 0.246 11.31 12 72.0 89.3 49 4 2 1 22.304 44.608 0.246 11.31 12 47.9 39.6 50 2 3 2 23.196 46.393 0.256 10.35 12 123.3 240.0 51 3 2 2 23.196 46.393 0.256 10.35 12 147.0 341.5 52 1 5 1 23.391 46.782 0.258 10.15 12 10.4 1.7 53 5 1 1 23.391 46.782 0.258 10.15 12 38.6 23.0 54 1 0 3 23.584 47.169 0.26 9.97 12 48.9 36.4 55 6 0 0 23.809 47.618 0.262 9.75 6 8.4 0.5 56 1 4 2 23.904 47.809 0.263 9.67 12 29.5 12.8 57 4 1 2 23.904 47.809 0.263 9.67 12 60.4 53.7 58 3 4 0 24.158 48.316 0.266 9.44 6 98.2 69.5 59 4 3 0 24.158 48.316 0.266 9.44 6 114.2 93.9 60 1 1 3 24.284 48.568 0.267 9.33 12 24.1 8.3 61 2 0 3 24.628 49.256 0.271 9.03 12 57.5 45.5 62 2 5 0 24.846 49.691 0.273 8.85 6 7.2 0.3 63 5 2 0 24.846 49.691 0.273 8.85 6 3.7 0.1 64 6 0 1 25.123 50.245 0.276 8.63 12 9.0 1.1 65 5 0 2 25.276 50.551 0.277 8.52 12 76.4 75.9 66 3 4 1 25.458 50.917 0.279 8.38 12 47.5 28.8 67 4 3 1 25.458 50.917 0.279 8.38 12 81.6 85.2 68 1 2 3 25.64 51.28 0.281 8.24 12 92.1 106.7 69 2 1 3 25.64 51.28 0.281 8.24 12 26.6 8.9 70 3 3 2 25.941 51.882 0.284 8.03 12 188.9 437.0 71 2 5 1 26.121 52.241 0.286 7.9 12 44.7 24.1 72 5 2 1 26.121 52.241 0.286 7.9 12 7.9 0.8 73 1 6 0 26.18 52.36 0.286 7.86 6 133.4 106.7 74 6 1 0 26.18 52.36 0.286 7.86 6 74.7 33.5 75 2 4 2 26.269 52.538 0.287 7.8 12 199.9 475.4 76 4 2 2 26.269 52.538 0.287 7.8 12 145.9 253.4 77 3 0 3 26.299 52.597 0.288 7.78 12 12.9 2.0 78 1 5 2 27.237 54.474 0.297 7.18 12 223.8 548.9 79 5 1 2 27.237 54.474 0.297 7.18 12 31.1 10.6 80 2 2 3 27.266 54.532 0.297 7.17 12 35.4 13.7 81 1 6 1 27.411 54.821 0.299 7.08 12 39.1 16.5 82 6 1 1 27.411 54.821 0.299 7.08 12 17.2 3.2 83 1 3 3 27.583 55.166 0.301 6.98 12 26.2 7.3 84 3 1 3 27.583 55.166 0.301 6.98 12 66.4 46.9 85 4 4 0 27.784 55.568 0.303 6.87 6 240.1 302.0 86 3 5 0 28.097 56.195 0.306 6.69 6 157.7 127.1 87 5 3 0 28.097 56.195 0.306 6.69 6 57.2 16.7 88 7 0 0 28.097 56.195 0.306 6.69 6 31.9 5.2 89 4 0 3 28.521 57.041 0.31 6.47 12 42.6 18.0 90 6 0 2 28.801 57.602 0.313 6.33 12 183.0 323.2 91 4 4 1 28.968 57.937 0.314 6.25 12 53.9 27.7 92 2 6 0 29.024 58.048 0.315 6.22 6 51.9 12.8 93 6 2 0 29.024 58.048 0.315 6.22 6 0.9 0.0 94 3 4 2 29.107 58.214 0.316 6.18 12 105.6 105.1 95 4 3 2 29.107 58.214 0.316 6.18 12 1.8 0.0 96 3 5 1 29.273 58.547 0.317 6.1 12 67.3 42.2 97 5 3 1 29.273 58.547 0.317 6.1 12 63.1 37.1 98 7 0 1 29.273 58.547 0.317 6.1 12 24.2 5.4 99 2 3 3 29.439 58.877 0.319 6.02 12 45.6 19.1 100 3 2 3 29.439 58.877 0.319 6.02 12 25.2 5.8 101 2 5 2 29.713 59.427 0.322 5.9 12 68.2 41.9 102 5 2 2 29.713 59.427 0.322 5.9 12 158.5 226.3 103 1 4 3 30.041 60.081 0.325 5.76 12 34.7 10.6 104 4 1 3 30.041 60.081 0.325 5.76 12 0.1 0.0 105 2 6 1 30.177 60.354 0.326 5.7 12 71.0 43.8 106 6 2 1 30.177 60.354 0.326 5.7 12 18.9 3.1 107 1 7 0 30.528 61.057 0.33 5.55 6 9.4 0.4 108 7 1 0 30.528 61.057 0.33 5.55 6 242.7 249.5 109 1 6 2 30.904 61.808 0.333 5.4 12 79.7 52.3 110 6 1 2 30.904 61.808 0.333 5.4 12 176.0 255.4 111 5 0 3 31.224 62.448 0.336 5.28 12 6.3 0.3 112 1 7 1 31.648 63.296 0.341 5.13 12 4.0 0.1 113 7 1 1 31.648 63.296 0.341 5.13 12 3.4 0.1 114 4 5 0 31.701 63.402 0.341 5.11 6 50.5 9.9 115 5 4 0 31.701 63.402 0.341 5.11 6 4.4 0.1 116 0 0 4 31.727 63.454 0.341 5.1 2 431.0 241.0 117 3 3 3 31.806 63.612 0.342 5.07 12 34.9 9.4 118 1 0 4 32.016 64.032 0.344 5.0 12 115.8 102.4 119 2 4 3 32.095 64.19 0.345 4.97 12 49.0 18.2 120 4 2 3 32.095 64.19 0.345 4.97 12 51.3 20.0 121 3 6 0 32.278 64.556 0.347 4.91 6 17.3 1.1 122 6 3 0 32.278 64.556 0.347 4.91 6 42.4 6.7 123 4 4 2 32.356 64.713 0.347 4.89 12 218.1 354.9 124 8 0 0 32.565 65.13 0.349 4.82 6 84.7 26.4 125 1 1 4 32.59 65.18 0.35 4.81 12 38.8 11.0 126 3 5 2 32.643 65.285 0.35 4.8 12 66.4 32.3 127 5 3 2 32.643 65.285 0.35 4.8 12 13.8 1.4 128 7 0 2 32.643 65.285 0.35 4.8 12 100.8 74.3 129 4 5 1 32.798 65.596 0.352 4.75 12 26.4 5.0 130 5 4 1 32.798 65.596 0.352 4.75 12 37.8 10.3 131 2 0 4 32.875 65.751 0.352 4.72 12 11.0 0.9 132 1 5 3 32.953 65.906 0.353 4.7 12 4.3 0.1 133 5 1 3 32.953 65.906 0.353 4.7 12 20.2 2.9 134 3 6 1 33.365 66.731 0.357 4.58 12 3.1 0.1 135 6 3 1 33.365 66.731 0.357 4.58 12 39.3 10.8 136 2 7 0 33.417 66.833 0.357 4.56 6 191.0 127.0 137 7 2 0 33.417 66.833 0.357 4.56 6 151.6 80.0 138 2 6 2 33.493 66.987 0.358 4.54 12 28.3 5.5 139 6 2 2 33.493 66.987 0.358 4.54 12 67.5 31.6 140 8 0 1 33.647 67.294 0.36 4.5 12 34.8 8.3 141 1 2 4 33.723 67.446 0.36 4.47 12 174.4 207.6 142 2 1 4 33.723 67.446 0.36 4.47 12 52.1 18.6 143 3 0 4 34.283 68.565 0.366 4.32 12 100.9 67.2 144 6 0 3 34.359 68.718 0.366 4.3 12 5.3 0.2 145 2 7 1 34.486 68.971 0.368 4.27 12 60.4 23.8 146 7 2 1 34.486 68.971 0.368 4.27 12 54.6 19.4 147 3 4 3 34.637 69.273 0.369 4.23 12 44.3 12.7 148 4 3 3 34.637 69.273 0.369 4.23 12 88.2 50.2 149 1 7 2 34.889 69.777 0.371 4.17 12 83.2 44.1 150 7 1 2 34.889 69.777 0.371 4.17 12 110.7 78.0 151 1 8 0 35.089 70.179 0.373 4.12 6 106.3 35.6 152 8 1 0 35.089 70.179 0.373 4.12 6 90.1 25.6 153 2 2 4 35.114 70.228 0.373 4.12 12 46.5 13.6 154 2 5 3 35.189 70.379 0.374 4.1 12 26.1 4.3 155 5 2 3 35.189 70.379 0.374 4.1 12 22.2 3.1 156 1 3 4 35.389 70.778 0.376 4.05 12 4.2 0.1 157 3 1 4 35.389 70.778 0.376 4.05 12 97.1 58.3 158 5 5 0 35.639 71.278 0.378 4.0 6 52.3 8.3 159 4 6 0 35.912 71.825 0.381 3.94 6 114.4 39.3 160 6 4 0 35.912 71.825 0.381 3.94 6 151.0 68.5 161 4 5 2 35.987 71.973 0.381 3.92 12 55.9 18.7 162 5 4 2 35.987 71.973 0.381 3.92 12 66.4 26.4 163 1 8 1 36.135 72.271 0.383 3.89 12 72.9 31.6 164 8 1 1 36.135 72.271 0.383 3.89 12 48.2 13.8 165 4 0 4 36.209 72.418 0.383 3.88 12 142.0 119.2 166 1 6 3 36.284 72.567 0.384 3.86 12 14.3 1.2 167 6 1 3 36.284 72.567 0.384 3.86 12 26.8 4.2 168 3 6 2 36.531 73.061 0.386 3.81 12 19.2 2.2 169 6 3 2 36.531 73.061 0.386 3.81 12 74.5 32.2 170 5 5 1 36.678 73.357 0.388 3.78 12 8.7 0.4 171 3 7 0 36.728 73.455 0.388 3.77 6 70.6 14.4 172 7 3 0 36.728 73.455 0.388 3.77 6 184.5 97.9 173 8 0 2 36.801 73.603 0.389 3.76 12 105.1 63.4 174 4 6 1 36.949 73.897 0.39 3.73 12 9.7 0.5 175 6 4 1 36.949 73.897 0.39 3.73 12 53.0 16.0 176 2 3 4 37.022 74.044 0.391 3.72 12 111.4 70.3 177 3 2 4 37.022 74.044 0.391 3.72 12 107.5 65.6 178 9 0 0 37.267 74.535 0.393 3.67 6 101.7 28.9 179 1 4 4 37.56 75.12 0.396 3.62 12 60.1 20.0 180 4 1 4 37.56 75.12 0.396 3.62 12 197.1 214.6 181 2 7 2 37.609 75.218 0.396 3.61 12 190.6 200.1 182 7 2 2 37.609 75.218 0.396 3.61 12 15.4 1.3 183 4 4 3 37.633 75.267 0.396 3.61 12 33.8 6.3 184 3 7 1 37.755 75.511 0.397 3.58 12 81.9 36.7 185 7 3 1 37.755 75.511 0.397 3.58 12 55.0 16.6 186 3 5 3 37.901 75.802 0.399 3.56 12 91.3 45.3 187 5 3 3 37.901 75.802 0.399 3.56 12 77.4 32.6 188 7 0 3 37.901 75.802 0.399 3.56 12 27.4 4.1 189 2 8 0 38.072 76.143 0.4 3.53 6 29.7 2.4 190 8 2 0 38.072 76.143 0.4 3.53 6 5.4 0.1 191 9 0 1 38.29 76.58 0.402 3.5 12 20.4 2.2 192 5 0 4 38.628 77.257 0.405 3.44 12 42.8 9.6 193 2 6 3 38.701 77.402 0.406 3.43 12 42.6 9.5 194 6 2 3 38.701 77.402 0.406 3.43 12 35.1 6.5 195 2 8 1 39.087 78.175 0.409 3.38 12 39.6 8.1 196 8 2 1 39.087 78.175 0.409 3.38 12 15.7 1.3 197 3 3 4 39.159 78.318 0.41 3.37 12 8.6 0.4 198 1 8 2 39.208 78.415 0.41 3.36 12 38.7 7.7 199 8 1 2 39.208 78.415 0.41 3.36 12 87.5 39.3 200 2 4 4 39.424 78.847 0.412 3.33 12 87.7 39.1 201 4 2 4 39.424 78.847 0.412 3.33 12 14.9 1.1 202 5 5 2 39.736 79.472 0.415 3.29 12 143.9 103.9 203 1 9 0 39.928 79.856 0.417 3.26 6 74.8 13.9 204 5 6 0 39.928 79.856 0.417 3.26 6 160.6 64.2 205 6 5 0 39.928 79.856 0.417 3.26 6 79.8 15.9 206 9 1 0 39.928 79.856 0.417 3.26 6 23.8 1.4 207 4 6 2 40.0 80.0 0.417 3.25 12 15.9 1.3 208 6 4 2 40.0 80.0 0.417 3.25 12 27.2 3.7 209 1 7 3 40.024 80.047 0.417 3.25 12 24.9 3.1 210 7 1 3 40.024 80.047 0.417 3.25 12 4.7 0.1 211 1 5 4 40.215 80.43 0.419 3.23 12 88.9 38.9 212 5 1 4 40.215 80.43 0.419 3.23 12 130.6 84.0 213 4 7 0 40.454 80.908 0.421 3.2 6 14.0 0.5 214 7 4 0 40.454 80.908 0.421 3.2 6 82.7 16.7 215 3 7 2 40.788 81.576 0.424 3.16 12 26.1 3.3 216 7 3 2 40.788 81.576 0.424 3.16 12 110.6 59.0 217 1 9 1 40.931 81.862 0.425 3.15 12 48.0 11.1 218 5 6 1 40.931 81.862 0.425 3.15 12 16.9 1.4 219 6 5 1 40.931 81.862 0.425 3.15 12 5.1 0.1 220 9 1 1 40.931 81.862 0.425 3.15 12 53.9 13.9 221 4 5 3 41.074 82.148 0.426 3.13 12 27.4 3.6 222 5 4 3 41.074 82.148 0.426 3.13 12 66.7 21.2 223 9 0 2 41.312 82.624 0.429 3.11 12 11.3 0.6 224 1 0 5 41.359 82.717 0.429 3.1 12 11.7 0.6 225 4 7 1 41.455 82.909 0.43 3.09 12 13.7 0.9 226 7 4 1 41.455 82.909 0.43 3.09 12 7.6 0.3 227 3 8 0 41.502 83.004 0.43 3.09 6 19.3 0.9 228 8 3 0 41.502 83.004 0.43 3.09 6 98.3 22.7 229 6 0 4 41.525 83.051 0.43 3.08 12 10.9 0.6 230 3 6 3 41.597 83.194 0.431 3.08 12 27.5 3.6 231 6 3 3 41.597 83.194 0.431 3.08 12 21.5 2.2 232 3 4 4 41.786 83.573 0.433 3.06 12 58.4 15.9 233 4 3 4 41.786 83.573 0.433 3.06 12 92.2 39.7 234 8 0 3 41.858 83.716 0.433 3.05 12 29.4 4.0 235 1 1 5 41.881 83.762 0.433 3.05 12 2.8 0.0 236 2 8 2 42.095 84.19 0.435 3.03 12 135.4 84.8 237 8 2 2 42.095 84.19 0.435 3.03 12 42.3 8.3 238 2 0 5 42.142 84.284 0.436 3.03 12 39.6 7.2 239 10 0 0 42.285 84.57 0.437 3.01 6 139.8 44.9 240 2 5 4 42.308 84.616 0.437 3.01 12 21.0 2.0 241 5 2 4 42.308 84.616 0.437 3.01 12 42.5 8.3 242 3 8 1 42.498 84.996 0.439 2.99 12 51.2 12.0 243 8 3 1 42.498 84.996 0.439 2.99 12 50.0 11.4 244 2 7 3 42.64 85.279 0.44 2.98 12 42.2 8.1 245 7 2 3 42.64 85.279 0.44 2.98 12 68.1 21.1 246 1 2 5 42.923 85.846 0.442 2.96 12 87.0 34.2 247 2 1 5 42.923 85.846 0.442 2.96 12 46.5 9.8 248 2 9 0 43.065 86.131 0.443 2.95 6 16.8 0.6 249 9 2 0 43.065 86.131 0.443 2.95 6 159.9 57.6 250 10 0 1 43.278 86.556 0.445 2.93 12 19.4 1.7 251 1 6 4 43.348 86.697 0.446 2.93 12 114.0 58.1 252 6 1 4 43.348 86.697 0.446 2.93 12 30.4 4.1 253 3 0 5 43.443 86.885 0.446 2.92 12 15.8 1.1 254 1 9 2 43.915 87.831 0.45 2.89 12 32.9 4.8 255 5 6 2 43.915 87.831 0.45 2.89 12 227.1 227.4 256 6 5 2 43.915 87.831 0.45 2.89 12 23.1 2.3 257 9 1 2 43.915 87.831 0.45 2.89 12 85.6 32.3 258 2 9 1 44.057 88.114 0.451 2.88 12 57.9 14.8 259 9 2 1 44.057 88.114 0.451 2.88 12 23.3 2.4 260 1 8 3 44.198 88.397 0.453 2.87 12 65.5 18.8 261 8 1 3 44.198 88.397 0.453 2.87 12 62.4 17.1 262 2 2 5 44.221 88.443 0.453 2.87 12 46.6 9.5 263 6 6 0 44.364 88.727 0.454 2.86 6 59.2 7.7 264 4 7 2 44.434 88.869 0.454 2.86 12 89.3 34.8 265 7 4 2 44.434 88.869 0.454 2.86 12 6.5 0.2 266 1 3 5 44.481 88.962 0.455 2.86 12 21.6 2.0 267 3 1 5 44.481 88.962 0.455 2.86 12 46.7 9.5 268 5 7 0 44.623 89.246 0.456 2.85 6 0.7 0.0 269 7 5 0 44.623 89.246 0.456 2.85 6 119.4 31.0 270 4 4 4 44.646 89.292 0.456 2.85 12 187.5 152.8 271 5 5 3 44.717 89.434 0.457 2.84 12 15.4 1.0 272 3 5 4 44.906 89.811 0.458 2.83 12 108.6 51.0 273 5 3 4 44.906 89.811 0.458 2.83 12 35.2 5.3 274 7 0 4 44.906 89.811 0.458 2.83 12 2.1 0.0 275 4 6 3 44.977 89.953 0.459 2.83 12 4.6 0.1 276 6 4 3 44.977 89.953 0.459 2.83 12 55.0 13.1 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 0 0 3.858 7.716 11.4486 7399.8 100.0 100.0 5.6 2 1 1 1 10.118 20.237 4.38452 95.0 1.3 1.3 5.6 3 1 2 0 10.254 20.508 4.32716 2128.6 28.8 28.5 5.6 4 2 0 1 10.843 21.687 4.09452 427.5 5.8 5.7 5.6 5 3 0 0 11.645 23.29 3.8162 410.6 5.5 5.5 5.6 6 1 2 1 12.785 25.57 3.48079 905.6 12.2 12.1 5.6 7 2 2 0 13.478 26.956 3.30492 288.2 3.9 3.8 5.6 8 3 1 0 14.039 28.079 3.17527 532.8 7.2 7.1 5.6 9 2 2 1 15.521 31.042 2.87856 388.7 5.3 5.2 5.6 10 4 0 0 15.612 31.225 2.86215 916.3 12.4 12.2 5.6 11 3 1 1 16.017 32.034 2.79167 316.0 4.3 4.2 5.6 12 1 1 2 16.714 33.429 2.67828 297.1 4.0 3.9 5.7 13 2 3 0 17.054 34.108 2.62649 752.3 10.2 10.0 5.7 14 4 0 1 17.429 34.858 2.57171 83.7 1.1 1.1 5.7 15 4 1 0 17.958 35.916 2.49829 894.4 12.1 11.8 5.7 16 1 2 2 18.513 37.027 2.42589 2052.2 27.7 27.2 5.7 17 2 3 1 18.747 37.494 2.3967 196.6 2.7 2.6 5.7 18 2 2 2 20.571 41.141 2.19226 318.0 4.3 4.2 5.7 19 2 4 0 20.856 41.712 2.16358 120.6 1.6 1.6 5.7 20 1 3 2 20.962 41.924 2.15314 139.1 1.9 1.8 5.7 21 5 1 0 22.0 44.0 2.05623 268.0 3.6 3.5 5.7 22 4 0 2 22.102 44.203 2.04726 220.4 3.0 2.9 5.7 23 2 4 1 22.304 44.608 2.02962 128.9 1.7 1.7 5.7 24 3 2 2 23.196 46.393 1.9556 581.4 7.9 7.6 5.7 25 4 3 0 24.158 48.316 1.88214 163.3 2.2 2.1 5.7 26 5 0 2 25.276 50.551 1.80405 75.9 1.0 1.0 5.8 27 4 3 1 25.458 50.917 1.79195 114.0 1.5 1.5 5.8 28 1 2 3 25.64 51.28 1.78012 115.6 1.6 1.5 5.8 29 3 3 2 25.941 51.882 1.76086 437.0 5.9 5.7 5.8 30 1 6 0 26.18 52.36 1.74589 140.2 1.9 1.8 5.8 31 2 4 2 26.269 52.538 1.74039 728.8 9.8 9.5 5.8 32 1 5 2 27.237 54.474 1.68303 573.1 7.7 7.4 5.8 33 4 4 0 27.784 55.568 1.65246 302.0 4.1 3.9 5.8 34 3 5 0 28.097 56.195 1.63551 149.0 2.0 1.9 5.8 35 6 0 2 28.801 57.602 1.59886 323.2 4.4 4.2 5.8 36 3 4 2 29.107 58.214 1.58349 105.2 1.4 1.4 5.8 37 3 5 1 29.273 58.547 1.57529 84.7 1.1 1.1 5.8 38 5 2 2 29.713 59.427 1.55404 268.1 3.6 3.5 5.8 39 7 1 0 30.528 61.057 1.5164 249.5 3.4 3.2 5.8 40 6 1 2 30.904 61.808 1.49976 307.8 4.2 4.0 5.8 41 0 0 4 31.727 63.454 1.46478 251.0 3.4 3.2 5.9 42 1 0 4 32.016 64.032 1.45293 102.4 1.4 1.3 5.9 43 4 4 2 32.356 64.713 1.43928 354.9 4.8 4.5 5.9 44 7 0 2 32.643 65.285 1.42804 108.0 1.5 1.4 5.9 45 2 7 0 33.417 66.833 1.39867 207.0 2.8 2.6 5.9 46 1 2 4 33.723 67.446 1.38744 226.2 3.1 2.9 5.9 47 7 1 2 34.889 69.777 1.34669 122.1 1.6 1.5 5.9 48 1 8 0 35.089 70.179 1.33996 74.7 1.0 0.9 5.9 49 6 4 0 35.912 71.825 1.31324 107.8 1.5 1.4 5.9 50 4 0 4 36.209 72.418 1.30394 119.2 1.6 1.5 5.9 51 7 3 0 36.728 73.455 1.28807 112.3 1.5 1.4 6.0 52 2 3 4 37.022 74.044 1.27928 135.9 1.8 1.7 6.0 53 4 1 4 37.56 75.12 1.2636 234.5 3.2 2.9 6.0 54 2 7 2 37.609 75.218 1.26219 207.7 2.8 2.6 6.0 55 3 5 3 37.901 75.802 1.25391 82.0 1.1 1.0 6.0 56 5 5 2 39.736 79.472 1.20497 103.9 1.4 1.3 6.0 57 6 5 0 39.928 79.856 1.20014 95.4 1.3 1.2 6.0 58 5 1 4 40.215 80.43 1.19302 123.0 1.7 1.5 6.0 59 2 8 2 42.095 84.19 1.14905 93.0 1.3 1.1 6.1 60 9 1 2 43.915 87.831 1.11056 266.9 3.6 3.2 6.2 61 4 4 4 44.646 89.292 1.09613 183.8 2.5 2.2 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) |