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 *** *********************** METAZEUNERITE 1, f-metazeunerite, DF Cu[UO(2)](2)[AsO(4)](2).8H(2)O Tetragonal * P4(2)/nmc Z = 2 *P4(2)/nmc 9 .4 .1994 Ref.Str.: Hanic F. (1960) * Czech. J. Phys., 10, 169-181 Reserv: In original - zeunerite. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.1 alpha = 90.0 b = 7.1 beta = 90.0 c = 17.7 gamma = 90.0 Unit cell volume (cub. angs.) = 892.26 Molar volume ( cub.cm/mol.) = 268.72 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.25 0.0545 0.0 U = 1.00 2 0.75 0.25 0.0 0.0 As = 1.00 3 0.25 0.25 0.164 0.0 O = 1.00 4 0.25 0.25 0.454 0.0 O = 1.00 5 0.25 0.25 0.308 0.0 Cu = 1.00 6 0.25 0.556 0.563 0.0 O = 1.00 7 0.25 0.556 0.063 0.0 O = 1.00 8 0.517 0.111 0.309 0.0 H(2)O = 0.5 , H(2)O = 0.0 9 0.517 0.111 0.809 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 0.25 0.25 0.0545 2 2 0.75 0.25 0.0 3 3 0.25 0.25 0.164 4 4 0.25 0.25 0.454 5 5 0.25 0.25 0.308 6 6 0.25 0.556 0.563 7 7 0.25 0.556 0.063 8 8 0.517 0.111 0.309 9 9 0.517 0.111 0.809 10 1 0.25 0.25 0.5545 11 2 0.25 0.75 0.5 12 3 0.25 0.25 0.664 13 4 0.25 0.25 0.954 14 5 0.25 0.25 0.808 15 6 0.944 0.25 0.063 16 6 0.25 0.944 0.563 17 6 0.556 0.25 0.063 18 7 0.944 0.25 0.563 19 7 0.25 0.944 0.063 20 7 0.556 0.25 0.563 21 8 0.389 0.517 0.809 22 8 0.983 0.389 0.309 23 8 0.111 0.983 0.809 24 9 0.389 0.517 0.309 25 9 0.983 0.389 0.809 26 9 0.111 0.983 0.309 27 8 0.983 0.111 0.309 28 9 0.983 0.111 0.809 29 8 0.111 0.517 0.809 30 8 0.517 0.389 0.309 31 8 0.389 0.983 0.809 32 9 0.111 0.517 0.309 33 9 0.517 0.389 0.809 34 9 0.389 0.983 0.309 35 1 0.75 0.75 0.9455 36 2 0.25 0.75 0.0 37 3 0.75 0.75 0.836 38 4 0.75 0.75 0.546 39 5 0.75 0.75 0.692 40 6 0.75 0.056 0.437 41 7 0.75 0.056 0.937 42 8 0.017 0.611 0.691 43 9 0.017 0.611 0.191 44 1 0.75 0.75 0.4455 45 2 0.75 0.25 0.5 46 3 0.75 0.75 0.336 47 4 0.75 0.75 0.046 48 5 0.75 0.75 0.192 49 6 0.444 0.75 0.937 50 6 0.75 0.444 0.437 51 6 0.056 0.75 0.937 52 7 0.444 0.75 0.437 53 7 0.75 0.444 0.937 54 7 0.056 0.75 0.437 55 8 0.889 0.017 0.191 56 8 0.483 0.889 0.691 57 8 0.611 0.483 0.191 58 9 0.889 0.017 0.691 59 9 0.483 0.889 0.191 60 9 0.611 0.483 0.691 61 8 0.483 0.611 0.691 62 9 0.483 0.611 0.191 63 8 0.611 0.017 0.191 64 8 0.017 0.889 0.691 65 8 0.889 0.483 0.191 66 9 0.611 0.017 0.691 67 9 0.017 0.889 0.191 68 9 0.889 0.483 0.691 X-ray density (g/cm cub.) = 4.05 MU (1/cm) = 709.419 Mass attenuation coefficient (cm**2/g) = 175.06 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 U 3.048 6 1.9382 3 2.1778 7 1.7788 4 2.1778 6 2.1778 6 2.1778 7 2 As 2.628 4 1.7722 6 1.7722 6 1.7722 7 1.7722 7 3 O 3.432 20 2.8135 7 3.3398 8 2.8136 6 2.8136 6 2.8136 7 3.3398 8 3.3398 9 3.3398 9 3.3398 8 3.3398 8 3.3398 9 3.3398 9 3.0878 9 3.0878 8 3.0878 8 3.0878 9 3.0878 9 3.0878 8 3.0878 8 3.0878 9 4 O 3.432 12 2.9056 6 3.3398 8 2.9056 6 2.9056 7 2.9056 7 3.3398 8 3.3398 9 3.3398 9 3.3398 8 3.3398 8 3.3398 9 3.3398 9 5 Cu 2.976 10 2.5488 3 2.5842 4 2.1373 8 2.1373 8 2.1373 9 2.1373 9 2.1373 8 2.1373 8 2.1373 9 2.1373 9 6 O 3.432 9 2.9056 4 2.8135 3 2.7548 6 3.0725 7 3.0725 7 2.8323 8 2.9611 7 2.9611 7 2.8323 8 7 O 3.432 9 2.8135 3 2.9056 4 3.0725 6 3.0725 6 2.7548 7 2.8323 9 2.9611 6 2.9611 6 2.8323 9 8 H(2)O,H(2)O 3.6 14 3.3398 3 3.3398 4 3.0225 9 3.0225 9 3.3086 8 1.9738 8 1.2852 9 2.8323 6 3.0878 3 3.4599 7 3.4327 8 3.4327 8 2.6277 9 2.292 8 9 H(2)O,H(2)O 3.6 14 3.3398 3 3.3398 4 3.0225 8 3.0225 8 3.3086 9 1.2852 8 1.9738 9 3.0878 3 2.8323 7 3.4599 6 2.6277 8 3.4327 9 3.4327 9 2.292 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 0 0 2 4.993 9.986 0.056 261.03 2 314.2 6472.8 2 1 0 1 6.713 13.426 0.076 143.41 8 0.0 0.0 3 1 0 2 7.995 15.99 0.09 100.44 8 154.1 2398.0 4 1 1 0 8.826 17.651 0.1 82.03 4 318.2 4173.6 5 1 0 3 9.773 19.547 0.11 66.49 8 0.0 0.0 6 0 0 4 10.025 20.05 0.113 63.09 2 195.0 602.8 7 1 1 2 10.16 20.32 0.115 61.36 8 44.1 119.8 8 1 0 4 11.836 23.672 0.133 44.66 8 421.1 7955.6 9 2 0 0 12.532 25.063 0.141 39.61 4 522.7 5436.8 10 2 0 1 12.785 25.571 0.144 37.98 8 0.0 0.0 11 1 1 4 13.417 26.834 0.151 34.3 8 41.4 59.0 12 2 0 2 13.52 27.04 0.152 33.75 8 334.2 3787.4 13 1 0 5 14.072 28.144 0.158 31.0 8 0.0 0.0 14 2 1 1 14.268 28.537 0.16 30.1 16 0.0 0.0 15 2 0 3 14.669 29.337 0.164 28.37 8 0.0 0.0 16 2 1 2 14.936 29.871 0.167 27.3 16 114.5 719.8 17 0 0 6 15.136 30.272 0.169 26.53 2 32.2 6.9 18 2 1 3 15.991 31.983 0.179 23.57 16 0.0 0.0 19 2 0 4 16.151 32.303 0.181 23.07 8 164.8 629.6 20 1 0 6 16.425 32.849 0.184 22.24 8 157.6 555.1 21 2 1 4 17.373 34.745 0.194 19.69 16 257.4 2621.4 22 1 1 6 17.629 35.258 0.197 19.07 8 143.5 394.8 23 2 2 0 17.87 35.74 0.199 18.51 4 473.7 2086.8 24 2 0 5 17.896 35.792 0.199 18.45 8 0.0 0.0 25 2 2 2 18.6 37.2 0.207 16.95 8 200.6 685.6 26 1 0 7 18.867 37.734 0.21 16.43 8 0.0 0.0 27 2 1 5 19.019 38.038 0.212 16.14 16 0.0 0.0 28 3 0 1 19.17 38.339 0.213 15.86 8 0.0 0.0 29 3 0 2 19.689 39.377 0.219 14.95 8 196.8 581.9 30 2 0 6 19.846 39.693 0.22 14.69 8 0.9 0.0 31 3 1 0 20.064 40.129 0.223 14.33 8 350.2 1766.2 32 3 1 1 20.232 40.464 0.224 14.07 16 0.0 0.0 33 0 0 8 20.374 40.748 0.226 13.85 2 436.1 661.8 34 3 0 3 20.529 41.058 0.228 13.62 8 0.0 0.0 35 2 2 4 20.658 41.316 0.229 13.43 8 161.0 349.7 36 3 1 2 20.729 41.458 0.23 13.33 16 64.3 110.9 37 2 1 6 20.88 41.76 0.231 13.11 16 136.7 492.3 38 1 0 8 21.387 42.773 0.237 12.43 8 134.5 226.0 39 3 1 3 21.535 43.071 0.238 12.24 16 0.0 0.0 40 3 0 4 21.66 43.32 0.24 12.08 8 375.0 1707.0 41 2 0 7 21.963 43.926 0.243 11.71 8 0.0 0.0 42 1 1 8 22.362 44.724 0.247 11.24 8 418.4 1977.6 43 3 1 4 22.626 45.252 0.25 10.95 16 31.9 22.4 44 2 1 7 22.919 45.837 0.253 10.63 16 0.0 0.0 45 3 0 5 23.048 46.097 0.254 10.5 8 0.0 0.0 46 3 2 1 23.177 46.355 0.255 10.37 16 0.0 0.0 47 3 2 2 23.624 47.248 0.26 9.93 16 99.3 196.6 48 2 2 6 23.761 47.521 0.262 9.8 8 83.4 68.4 49 3 1 5 23.97 47.94 0.264 9.61 16 0.0 0.0 50 1 0 9 23.98 47.96 0.264 9.6 8 0.0 0.0 51 2 0 8 24.219 48.439 0.266 9.38 8 223.2 469.7 52 3 2 3 24.354 48.709 0.268 9.27 16 0.0 0.0 53 3 0 6 24.662 49.324 0.271 9.0 8 205.4 381.6 54 2 1 8 25.108 50.217 0.275 8.64 16 122.2 259.3 55 3 2 4 25.35 50.701 0.278 8.46 16 341.6 1983.2 56 3 1 6 25.54 51.08 0.28 8.32 16 153.3 392.9 57 4 0 0 25.719 51.438 0.282 8.18 4 509.2 1066.2 58 0 0 10 25.797 51.594 0.282 8.13 2 101.6 21.1 59 4 0 1 25.858 51.715 0.283 8.08 8 0.0 0.0 60 4 0 2 26.27 52.54 0.287 7.8 8 259.9 529.3 61 3 0 7 26.474 52.948 0.289 7.66 8 0.0 0.0 62 3 2 5 26.591 53.181 0.291 7.59 16 0.0 0.0 63 2 0 9 26.6 53.199 0.291 7.58 8 0.0 0.0 64 1 0 10 26.648 53.296 0.291 7.55 8 54.6 22.6 65 4 1 1 26.707 53.414 0.292 7.51 16 0.0 0.0 66 4 0 3 26.948 53.895 0.294 7.36 8 0.0 0.0 67 4 1 2 27.11 54.221 0.296 7.26 16 90.9 120.5 68 3 1 7 27.31 54.62 0.298 7.14 16 0.0 0.0 69 3 3 0 27.405 54.811 0.299 7.08 4 323.5 372.3 70 2 1 9 27.433 54.866 0.299 7.07 16 0.0 0.0 71 1 1 10 27.48 54.96 0.3 7.04 8 272.0 523.3 72 2 2 8 27.651 55.301 0.301 6.94 8 205.7 295.1 73 4 1 3 27.774 55.547 0.302 6.87 16 0.0 0.0 74 4 0 4 27.877 55.754 0.304 6.81 8 143.3 140.6 75 3 3 2 27.933 55.866 0.304 6.78 8 105.8 76.3 76 3 2 6 28.054 56.109 0.305 6.72 16 119.2 191.8 77 3 0 8 28.463 56.926 0.309 6.5 8 115.0 86.4 78 4 1 4 28.685 57.37 0.312 6.39 16 314.9 1272.5 79 4 2 0 29.024 58.049 0.315 6.22 8 452.7 1280.5 80 4 0 5 29.042 58.085 0.315 6.21 8 0.0 0.0 81 2 0 10 29.096 58.193 0.316 6.18 8 142.8 126.7 82 4 2 1 29.152 58.304 0.316 6.16 16 0.0 0.0 83 3 1 8 29.261 58.521 0.317 6.11 16 435.1 2322.8 84 1 0 11 29.396 58.792 0.319 6.04 8 0.0 0.0 85 3 3 4 29.479 58.958 0.319 6.0 8 30.5 5.6 86 4 2 2 29.533 59.066 0.32 5.98 16 190.3 435.1 87 3 2 7 29.722 59.444 0.322 5.9 16 0.0 0.0 88 4 1 5 29.83 59.661 0.323 5.85 16 0.0 0.0 89 2 1 10 29.883 59.767 0.323 5.82 16 30.4 10.8 90 4 2 3 30.162 60.323 0.326 5.7 16 0.0 0.0 91 4 0 6 30.428 60.857 0.329 5.59 8 3.0 0.1 92 3 0 9 30.614 61.228 0.331 5.52 8 0.0 0.0 93 4 2 4 31.029 62.057 0.335 5.36 16 140.2 211.5 94 4 1 6 31.195 62.39 0.336 5.29 16 113.4 136.8 95 3 1 9 31.378 62.755 0.338 5.23 16 0.0 0.0 96 0 0 12 31.482 62.963 0.339 5.19 2 93.9 11.5 97 3 2 8 31.578 63.156 0.34 5.15 16 119.0 146.6 98 2 0 11 31.708 63.415 0.341 5.11 8 0.0 0.0 99 3 3 6 31.951 63.901 0.344 5.02 8 181.4 166.1 100 4 0 7 32.02 64.039 0.344 5.0 8 0.0 0.0 101 4 2 5 32.123 64.246 0.345 4.96 16 0.0 0.0 102 2 2 10 32.174 64.348 0.346 4.95 8 64.3 20.5 103 1 0 12 32.234 64.467 0.346 4.93 8 303.4 455.8 104 2 1 11 32.457 64.914 0.348 4.85 16 0.0 0.0 105 4 1 7 32.765 65.53 0.351 4.76 16 0.0 0.0 106 3 0 10 32.918 65.835 0.353 4.71 8 89.5 37.9 107 4 3 1 32.97 65.939 0.353 4.69 16 0.0 0.0 108 5 0 1 32.97 65.939 0.353 4.69 8 0.0 0.0 109 1 1 12 32.977 65.953 0.353 4.69 8 240.4 272.4 110 4 3 2 33.325 66.65 0.357 4.59 16 143.1 188.9 111 5 0 2 33.325 66.65 0.357 4.59 8 118.6 64.9 112 4 2 6 33.434 66.869 0.358 4.56 16 51.2 24.0 113 5 1 0 33.586 67.173 0.359 4.51 8 216.4 212.5 114 3 2 9 33.611 67.221 0.359 4.51 16 0.0 0.0 115 3 1 10 33.653 67.305 0.36 4.49 16 263.1 625.2 116 5 1 1 33.704 67.408 0.36 4.48 16 0.0 0.0 117 4 0 8 33.804 67.608 0.361 4.45 8 257.7 297.1 118 4 3 3 33.913 67.827 0.362 4.42 16 0.0 0.0 119 5 0 3 33.913 67.827 0.362 4.42 8 0.0 0.0 120 5 1 2 34.056 68.111 0.364 4.38 16 30.3 8.1 121 2 0 12 34.437 68.875 0.367 4.28 8 70.4 21.3 122 4 1 8 34.53 69.059 0.368 4.26 16 114.3 111.9 123 5 1 3 34.638 69.276 0.369 4.23 16 0.0 0.0 124 4 3 4 34.729 69.458 0.37 4.21 16 279.3 660.2 125 5 0 4 34.729 69.458 0.37 4.21 8 258.5 282.8 126 4 2 7 34.952 69.904 0.372 4.16 16 0.0 0.0 127 2 1 12 35.157 70.314 0.374 4.11 16 216.1 385.3 128 1 0 13 35.173 70.347 0.374 4.1 8 0.0 0.0 129 3 3 8 35.248 70.497 0.375 4.09 8 410.3 691.1 130 3 0 11 35.371 70.742 0.376 4.06 8 0.0 0.0 131 5 1 4 35.446 70.892 0.376 4.04 16 25.3 5.2 132 4 3 5 35.765 71.53 0.379 3.97 16 0.0 0.0 133 5 0 5 35.765 71.53 0.379 3.97 8 0.0 0.0 134 4 0 9 35.773 71.546 0.379 3.97 8 0.0 0.0 135 3 2 10 35.813 71.627 0.38 3.96 16 32.1 8.2 136 5 2 1 35.863 71.727 0.38 3.95 16 0.0 0.0 137 3 1 11 36.082 72.165 0.382 3.9 16 0.0 0.0 138 5 2 2 36.206 72.411 0.383 3.88 16 60.1 28.2 139 5 1 5 36.473 72.947 0.386 3.82 16 0.0 0.0 140 4 1 9 36.481 72.962 0.386 3.82 16 0.0 0.0 141 4 2 8 36.667 73.335 0.388 3.78 16 222.9 377.9 142 5 2 3 36.773 73.546 0.389 3.76 16 0.0 0.0 143 4 3 6 37.015 74.03 0.391 3.72 16 166.4 206.9 144 5 0 6 37.015 74.03 0.391 3.72 8 144.0 77.5 145 2 2 12 37.28 74.559 0.393 3.67 8 80.5 23.9 146 2 0 13 37.295 74.591 0.393 3.67 8 0.0 0.0 147 0 0 14 37.536 75.072 0.395 3.62 2 68.5 4.3 148 5 2 4 37.562 75.124 0.396 3.62 16 239.8 418.2 149 5 1 6 37.714 75.428 0.397 3.59 16 108.2 84.5 150 4 4 0 37.858 75.717 0.398 3.57 4 364.0 237.5 151 4 0 10 37.921 75.843 0.399 3.56 8 116.5 48.5 152 3 0 12 37.977 75.954 0.399 3.55 8 285.3 290.2 153 2 1 13 37.993 75.985 0.4 3.55 16 0.0 0.0 154 3 2 11 38.185 76.369 0.401 3.51 16 0.0 0.0 155 1 0 14 38.232 76.464 0.402 3.51 8 133.9 63.2 156 4 4 2 38.305 76.611 0.402 3.49 8 234.5 193.0 157 4 3 7 38.472 76.944 0.404 3.47 16 0.0 0.0 158 5 0 7 38.472 76.944 0.404 3.47 8 0.0 0.0 159 5 2 5 38.568 77.136 0.405 3.45 16 0.0 0.0 160 4 2 9 38.575 77.151 0.405 3.45 16 0.0 0.0 161 4 1 10 38.615 77.23 0.405 3.45 16 27.6 5.3 162 3 1 12 38.67 77.34 0.406 3.44 16 226.0 352.9 163 1 1 14 38.924 77.847 0.408 3.4 8 104.8 37.5 164 5 1 7 39.163 78.325 0.41 3.37 16 0.0 0.0 165 5 3 0 39.242 78.485 0.411 3.36 8 249.1 209.2 166 3 3 10 39.305 78.609 0.411 3.35 8 281.8 267.1 167 5 3 1 39.353 78.706 0.412 3.34 16 0.0 0.0 168 4 4 4 39.637 79.274 0.414 3.3 8 120.1 47.9 169 5 3 2 39.685 79.369 0.414 3.3 16 41.1 11.2 170 5 2 6 39.787 79.573 0.415 3.28 16 88.0 51.1 171 4 3 8 40.133 80.266 0.418 3.24 16 99.2 64.0 172 5 0 8 40.133 80.266 0.418 3.24 8 100.7 33.0 173 5 3 3 40.236 80.471 0.419 3.23 16 0.0 0.0 174 4 0 11 40.25 80.5 0.419 3.22 8 0.0 0.0 175 2 0 14 40.297 80.593 0.42 3.22 8 69.5 15.6 176 6 0 0 40.613 81.225 0.423 3.18 4 412.9 272.5 177 4 2 10 40.674 81.349 0.423 3.17 16 70.1 31.4 178 6 0 1 40.722 81.445 0.423 3.17 8 0.0 0.0 179 3 2 12 40.729 81.458 0.424 3.17 16 265.2 447.7 180 3 0 13 40.744 81.488 0.424 3.17 8 0.0 0.0 181 5 1 8 40.816 81.632 0.424 3.16 16 317.0 637.8 182 4 1 11 40.933 81.865 0.425 3.15 16 0.0 0.0 183 2 1 14 40.979 81.958 0.426 3.14 16 127.7 102.9 184 5 3 4 41.004 82.008 0.426 3.14 16 21.6 2.9 185 6 0 2 41.051 82.103 0.426 3.13 8 221.8 154.8 186 5 2 7 41.215 82.43 0.428 3.12 16 0.0 0.0 187 6 1 1 41.403 82.806 0.429 3.1 16 0.0 0.0 188 3 1 13 41.425 82.85 0.429 3.09 16 0.0 0.0 189 1 0 15 41.432 82.864 0.43 3.09 8 0.0 0.0 190 6 0 3 41.598 83.197 0.431 3.08 8 0.0 0.0 191 6 1 2 41.731 83.462 0.432 3.06 16 105.7 68.7 192 4 4 6 41.832 83.664 0.433 3.05 8 8.4 0.2 193 5 3 5 41.988 83.976 0.434 3.04 16 0.0 0.0 194 4 3 9 41.995 83.991 0.434 3.04 16 0.0 0.0 195 5 0 9 41.995 83.991 0.434 3.04 8 0.0 0.0 196 6 1 3 42.277 84.553 0.437 3.01 16 0.0 0.0 197 6 0 4 42.362 84.724 0.437 3.01 8 118.8 42.6 198 5 1 9 42.673 85.346 0.44 2.98 16 0.0 0.0 199 4 0 12 42.765 85.531 0.441 2.97 8 72.6 15.8 200 5 2 8 42.852 85.703 0.441 2.97 16 103.8 64.3 201 4 2 11 42.968 85.936 0.442 2.96 16 0.0 0.0 202 2 2 14 43.014 86.027 0.443 2.95 8 23.7 1.7 203 6 1 4 43.039 86.077 0.443 2.95 16 249.8 370.1 204 5 3 6 43.186 86.372 0.444 2.94 16 114.6 77.6 205 6 2 0 43.326 86.653 0.445 2.93 8 360.0 381.4 206 6 0 5 43.342 86.683 0.446 2.93 8 0.0 0.0 207 6 2 1 43.435 86.87 0.446 2.92 16 0.0 0.0 208 4 1 12 43.441 86.883 0.446 2.92 16 248.7 363.1 209 3 2 13 43.457 86.913 0.446 2.92 16 0.0 0.0 210 2 0 15 43.464 86.928 0.447 2.92 8 0.0 0.0 211 3 0 14 43.689 87.378 0.448 2.9 8 168.0 82.4 212 6 2 2 43.761 87.522 0.449 2.9 16 189.2 208.5 213 6 1 5 44.017 88.033 0.451 2.88 16 0.0 0.0 214 4 3 10 44.062 88.125 0.451 2.88 16 66.0 25.2 215 5 0 10 44.062 88.125 0.451 2.88 8 47.4 6.5 216 5 4 1 44.11 88.22 0.452 2.88 16 0.0 0.0 217 3 3 12 44.116 88.233 0.452 2.88 8 206.9 123.8 218 0 0 16 44.131 88.262 0.452 2.88 2 350.8 88.9 219 2 1 15 44.139 88.278 0.452 2.88 16 0.0 0.0 220 6 2 3 44.304 88.607 0.453 2.87 16 0.0 0.0 221 3 1 14 44.364 88.728 0.454 2.86 16 81.4 38.2 222 5 4 2 44.436 88.871 0.454 2.86 16 77.5 34.5 223 6 0 6 44.536 89.072 0.455 2.85 8 8.7 0.2 224 5 3 7 44.598 89.196 0.456 2.85 16 0.0 0.0 225 5 2 9 44.698 89.397 0.457 2.84 16 0.0 0.0 226 5 1 10 44.737 89.474 0.457 2.84 16 215.0 264.1 227 1 0 16 44.805 89.611 0.457 2.84 8 180.9 93.3 228 4 4 8 44.877 89.754 0.458 2.83 8 172.7 85.0 229 5 4 3 44.978 89.956 0.459 2.83 16 0.0 0.0 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 0 0 2 4.993 9.986 8.85 6472.8 81.4 82.1 5.6 2 1 0 2 7.995 15.99 5.53806 2398.0 30.1 30.3 5.6 3 1 1 0 8.826 17.651 5.02046 4173.6 52.5 52.7 5.6 4 0 0 4 10.025 20.05 4.425 602.8 7.6 7.6 5.6 5 1 1 2 10.16 20.32 4.36675 119.8 1.5 1.5 5.6 6 1 0 4 11.836 23.672 3.75536 7955.6 100.0 100.0 5.6 7 2 0 0 12.532 25.063 3.55 5436.8 68.3 68.3 5.6 8 2 0 2 13.52 27.04 3.29481 3787.4 47.6 47.5 5.6 9 2 1 2 14.936 29.871 2.98868 719.8 9.0 9.0 5.6 10 2 0 4 16.151 32.303 2.76903 629.6 7.9 7.9 5.6 11 1 0 6 16.425 32.849 2.72421 555.1 7.0 6.9 5.6 12 2 1 4 17.373 34.745 2.57978 2621.4 32.9 32.7 5.7 13 1 1 6 17.629 35.258 2.54342 394.8 5.0 4.9 5.7 14 2 2 0 17.87 35.74 2.51023 2086.8 26.2 26.0 5.7 15 2 2 2 18.6 37.2 2.41496 685.6 8.6 8.5 5.7 16 3 0 2 19.689 39.377 2.28633 581.9 7.3 7.2 5.7 17 3 1 0 20.064 40.129 2.24522 1766.2 22.2 21.9 5.7 18 0 0 8 20.374 40.748 2.2125 661.8 8.3 8.2 5.7 19 2 2 4 20.658 41.316 2.18338 349.7 4.4 4.3 5.7 20 3 1 2 20.729 41.458 2.17627 110.9 1.4 1.4 5.7 21 2 1 6 20.88 41.76 2.1612 492.3 6.2 6.1 5.7 22 1 0 8 21.387 42.773 2.11232 226.0 2.8 2.8 5.7 23 3 0 4 21.66 43.32 2.08693 1707.0 21.5 21.1 5.7 24 1 1 8 22.362 44.724 2.02461 1977.6 24.9 24.4 5.7 25 3 2 2 23.624 47.248 1.92218 196.6 2.5 2.4 5.7 26 2 0 8 24.219 48.439 1.87768 469.7 5.9 5.8 5.7 27 3 0 6 24.662 49.324 1.84602 381.6 4.8 4.7 5.7 28 2 1 8 25.108 50.217 1.81527 259.3 3.3 3.2 5.8 29 3 2 4 25.35 50.701 1.79908 1983.2 24.9 24.3 5.8 30 3 1 6 25.54 51.08 1.78662 392.9 4.9 4.8 5.8 31 4 0 0 25.719 51.438 1.775 1066.2 13.4 13.0 5.8 32 4 0 2 26.27 52.54 1.74034 529.3 6.7 6.5 5.8 33 4 1 2 27.11 54.221 1.6903 120.5 1.5 1.5 5.8 34 3 3 0 27.405 54.811 1.67349 372.3 4.7 4.5 5.8 35 1 1 10 27.48 54.96 1.66929 523.3 6.6 6.4 5.8 36 2 2 8 27.651 55.301 1.65981 295.1 3.7 3.6 5.8 37 4 0 4 27.877 55.754 1.6474 140.6 1.8 1.7 5.8 38 3 2 6 28.054 56.109 1.63782 191.8 2.4 2.3 5.8 39 3 0 8 28.463 56.926 1.61623 86.4 1.1 1.0 5.8 40 4 1 4 28.685 57.37 1.60477 1272.5 16.0 15.5 5.8 41 4 2 0 29.024 58.049 1.58761 1280.5 16.1 15.5 5.8 42 2 0 10 29.096 58.193 1.58403 126.7 1.6 1.5 5.8 43 3 1 8 29.261 58.521 1.57591 2322.8 29.2 28.2 5.8 44 4 2 2 29.533 59.066 1.56266 435.1 5.5 5.3 5.8 45 4 2 4 31.029 62.057 1.49434 211.5 2.7 2.5 5.8 46 4 1 6 31.195 62.39 1.48717 136.8 1.7 1.6 5.8 47 3 2 8 31.578 63.156 1.47096 146.6 1.8 1.8 5.9 48 3 3 6 31.951 63.901 1.45558 166.1 2.1 2.0 5.9 49 1 0 12 32.234 64.467 1.44417 455.8 5.7 5.5 5.9 50 1 1 12 32.977 65.953 1.41519 272.4 3.4 3.3 5.9 51 4 3 2 33.325 66.65 1.40207 253.8 3.2 3.0 5.9 52 5 1 0 33.586 67.173 1.39242 212.5 2.7 2.5 5.9 53 3 1 10 33.653 67.305 1.39001 625.2 7.9 7.5 5.9 54 4 0 8 33.804 67.608 1.38451 297.1 3.7 3.6 5.9 55 4 1 8 34.53 69.059 1.35892 111.9 1.4 1.3 5.9 56 4 3 4 34.729 69.458 1.35209 943.0 11.9 11.2 5.9 57 2 1 12 35.157 70.314 1.33771 385.3 4.8 4.6 5.9 58 3 3 8 35.248 70.497 1.33469 691.1 8.7 8.2 5.9 59 4 2 8 36.667 73.335 1.28989 377.9 4.7 4.5 6.0 60 4 3 6 37.015 74.03 1.27949 284.4 3.6 3.4 6.0 61 5 2 4 37.562 75.124 1.26354 422.4 5.3 5.0 6.0 62 5 1 6 37.714 75.428 1.2592 84.5 1.1 1.0 6.0 63 4 4 0 37.858 75.717 1.25511 237.5 3.0 2.8 6.0 64 3 0 12 37.977 75.954 1.25179 290.2 3.6 3.4 6.0 65 4 4 2 38.305 76.611 1.24268 193.0 2.4 2.3 6.0 66 3 1 12 38.67 77.34 1.23277 352.9 4.4 4.1 6.0 67 5 3 0 39.242 78.485 1.21764 209.2 2.6 2.4 6.0 68 3 3 10 39.305 78.609 1.21602 267.1 3.4 3.1 6.0 69 4 3 8 40.133 80.266 1.19504 97.0 1.2 1.1 6.0 70 6 0 0 40.613 81.225 1.18333 272.5 3.4 3.2 6.1 71 3 2 12 40.729 81.458 1.18054 447.7 5.6 5.2 6.1 72 5 1 8 40.816 81.632 1.17847 637.8 8.0 7.4 6.1 73 2 1 14 40.979 81.958 1.1746 105.8 1.3 1.2 6.1 74 6 0 2 41.051 82.103 1.1729 154.8 1.9 1.8 6.1 75 6 1 4 43.039 86.077 1.12863 371.8 4.7 4.3 6.1 76 6 2 0 43.326 86.653 1.12261 381.4 4.8 4.4 6.1 77 4 1 12 43.441 86.883 1.12023 363.1 4.6 4.2 6.1 78 3 0 14 43.689 87.378 1.11514 82.4 1.0 0.9 6.2 79 6 2 2 43.761 87.522 1.11368 208.5 2.6 2.4 6.2 80 3 3 12 44.116 88.233 1.10654 212.7 2.7 2.4 6.2 81 5 1 10 44.737 89.474 1.09438 264.1 3.3 3.0 6.2 82 1 0 16 44.805 89.611 1.09306 93.3 1.2 1.1 6.2 83 4 4 8 44.877 89.754 1.09169 85.0 1.1 1.0 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) |