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 *** *********************** PIEMONTITE 2, at 800'C, f-epidote, s-epidote [Ca(1.8)Sr(0.2)][Al(1.91)Fe(0.33)Mn(0.82)][SiO(4)](3)(OH) Monoclinic P 2(1)/m Z = 2 R =0.056 NR =2826 6 .9 .1989 Ref.Str.: M. Catti, G. Ferraris, G. Ivaldi (1988) * Amer. Mineral., 73, 1370-1376 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.934 alpha = 90.0 b = 5.727 beta = 115.28 c = 10.3 gamma = 90.0 Unit cell volume (cub. angs.) = 476.53 Molar volume ( cub.cm/mol.) = 143.52 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.7605 0.75 0.155 2.45 Ca = 1.00 2 0.5959 0.75 0.4208 2.61 Ca = 0.8 , Sr = 0.2 3 0.0 0.0 0.0 1.19 Al = 0.81, Mn = 0.1 , Fe = 0.09 4 0.0 0.0 0.5 1.26 Al = 1.00 5 0.2945 0.25 0.2218 1.4 Al = 0.06, Mn = 0.67, Fe = 0.27 6 0.339 0.75 0.0126 1.21 Si = 1.00 7 0.6851 0.25 0.2757 1.2 Si = 1.00 8 0.1841 0.75 0.3182 1.16 Si = 1.00 9 0.2337 0.9882 0.0358 2.2 O = 1.00 10 0.3035 0.978 0.355 2.0 O = 1.00 11 0.7949 0.0183 0.3411 1.7 O = 1.00 12 0.0598 0.25 0.1295 1.5 O = 1.00 13 0.0433 0.75 0.1471 1.6 O = 1.00 14 0.0656 0.75 0.405 1.8 O = 1.00 15 0.5117 0.75 0.1739 2.1 O = 1.00 16 0.525 0.25 0.309 2.7 O = 1.00 17 0.6301 0.25 0.1031 3.6 O = 1.00 18 0.0837 0.25 0.4308 0.67 O = 1.00 19 0.055 0.25 0.35 1.2 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.7605 0.75 0.155 2 2 0.5959 0.75 0.4208 3 3 0.0 0.0 0.0 4 4 0.0 0.0 0.5 5 5 0.2945 0.25 0.2218 6 6 0.339 0.75 0.0126 7 7 0.6851 0.25 0.2757 8 8 0.1841 0.75 0.3182 9 9 0.2337 0.9882 0.0358 10 10 0.3035 0.978 0.355 11 11 0.7949 0.0183 0.3411 12 12 0.0598 0.25 0.1295 13 13 0.0433 0.75 0.1471 14 14 0.0656 0.75 0.405 15 15 0.5117 0.75 0.1739 16 16 0.525 0.25 0.309 17 17 0.6301 0.25 0.1031 18 18 0.0837 0.25 0.4308 19 19 0.055 0.25 0.35 20 1 0.2395 0.25 0.845 21 2 0.4041 0.25 0.5792 22 3 0.0 0.5 0.0 23 4 0.0 0.5 0.5 24 5 0.7055 0.75 0.7782 25 6 0.661 0.25 0.9874 26 7 0.3149 0.75 0.7243 27 8 0.8159 0.25 0.6818 28 9 0.7663 0.4882 0.9642 29 10 0.6965 0.478 0.645 30 11 0.2051 0.5183 0.6589 31 12 0.9402 0.75 0.8705 32 13 0.9567 0.25 0.8529 33 14 0.9344 0.25 0.595 34 15 0.4883 0.25 0.8261 35 16 0.475 0.75 0.691 36 17 0.3699 0.75 0.8969 37 18 0.9163 0.75 0.5692 38 19 0.945 0.75 0.65 39 9 0.2337 0.5118 0.0358 40 10 0.3035 0.522 0.355 41 11 0.7949 0.4817 0.3411 42 9 0.7663 0.0118 0.9642 43 10 0.6965 0.022 0.645 44 11 0.2051 0.9817 0.6589 X-ray density (g/cm cub.) = 3.45 MU (1/cm) = 259.646 Mass attenuation coefficient (cm**2/g) = 75.158 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca 2.88 7 2.372 11 2.5623 13 2.84 14 2.3126 15 2.4899 9 2.372 11 2.4899 9 2 Ca ,Sr 3.072 10 2.7343 10 2.728 11 2.3236 15 3.0502 16 3.0502 16 2.6066 10 2.6064 18 2.7343 10 2.728 11 2.6066 10 3 Al ,Mn ,Fe 2.724 6 1.9602 9 1.8724 12 1.9986 13 1.8724 12 1.9986 13 1.9602 9 4 Al 2.316 6 1.867 11 1.9598 14 1.8901 18 1.9598 14 1.8901 18 1.867 11 5 Al ,Mn ,Fe 2.724 6 2.3079 9 2.0541 10 1.8966 12 1.8624 16 2.3079 9 2.0541 10 6 Si 2.1 4 1.7306 9 1.718 15 1.3332 17 1.7306 9 7 Si 2.1 4 1.6163 11 1.607 16 1.6297 17 1.6163 11 8 Si 2.1 4 1.6252 10 1.6718 13 1.6518 14 1.6252 10 9 O 3.264 9 3.0742 10 2.6218 12 2.781 13 2.6524 15 2.7968 12 2.8177 13 2.6221 17 2.9987 9 2.7283 9 10 O 3.264 8 3.0742 9 2.871 12 2.7282 13 2.7244 14 2.7144 16 2.8639 18 3.1155 10 2.6115 10 11 O 3.264 9 2.6988 14 2.8296 15 2.6464 16 2.6183 17 2.6899 18 2.7147 14 2.6231 18 2.6539 11 3.0731 11 12 O 3.264 10 2.6218 9 2.871 10 2.877 13 2.877 13 3.0184 18 2.7968 9 2.593 13 2.6218 9 2.871 10 2.7968 9 13 O 3.264 10 2.781 9 2.7282 10 2.877 12 2.877 12 2.5776 14 2.8177 9 2.593 12 2.781 9 2.7282 10 2.8177 9 14 O 3.264 10 2.7244 10 2.6988 11 2.5776 13 2.874 18 2.874 18 2.7147 11 2.5625 18 2.7244 10 2.6988 11 2.7147 11 15 O 3.264 9 2.6524 9 2.8296 11 3.1637 16 3.1637 16 3.2418 17 3.2418 17 2.5803 17 2.6524 9 2.8296 11 16 O 3.264 7 2.7144 10 2.6464 11 3.1637 15 3.1637 15 2.6608 17 2.7144 10 2.6464 11 17 O 3.264 8 2.6183 11 3.2418 15 3.2418 15 2.6608 16 2.6221 9 2.5803 15 2.6183 11 2.6221 9 18 O 3.264 10 2.8639 10 2.6899 11 3.0184 12 2.874 14 2.874 14 2.6231 11 2.5625 14 2.8639 10 2.6899 11 2.6231 11 19 H 1.632 1 0.759 18 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 1 5.511 11.022 0.054 213.87 2 6.2 7.3 2 1 0 0 6.357 12.714 0.062 160.17 2 11.6 18.9 3 1 0 -1 6.394 12.787 0.062 158.31 2 19.0 50.2 4 1 0 1 10.069 20.137 0.098 62.52 2 4.1 0.9 5 1 0 -2 10.139 20.278 0.098 61.63 2 52.5 149.4 6 0 1 1 10.565 21.13 0.102 56.59 4 2.4 0.6 7 1 1 0 11.037 22.075 0.107 51.67 4 17.7 28.5 8 1 1 -1 11.059 22.118 0.107 51.46 4 14.1 18.1 9 0 0 2 11.074 22.148 0.107 51.31 2 3.6 0.6 10 2 0 -1 11.551 23.102 0.112 46.99 2 1.8 0.1 11 2 0 0 12.794 25.588 0.124 37.92 2 54.1 97.7 12 2 0 -2 12.869 25.737 0.124 37.46 2 68.0 152.5 13 1 1 1 13.558 27.116 0.131 33.55 4 26.4 41.0 14 1 1 -2 13.611 27.223 0.132 33.27 4 10.8 6.9 15 0 1 2 14.333 28.666 0.138 29.81 4 16.5 14.3 16 2 1 -1 14.711 29.423 0.142 28.19 4 76.1 287.4 17 1 0 2 15.038 30.075 0.145 26.9 2 54.1 69.3 18 1 0 -3 15.118 30.237 0.146 26.59 2 24.7 14.3 19 2 1 0 15.723 31.445 0.151 24.44 4 12.9 7.2 20 2 1 -2 15.785 31.569 0.152 24.24 4 15.7 10.5 21 2 0 1 16.048 32.097 0.155 23.39 2 61.4 77.6 22 2 0 -3 16.17 32.34 0.156 23.01 2 5.6 0.6 23 0 0 3 16.745 33.49 0.161 21.33 2 41.4 32.1 24 1 1 2 17.628 35.256 0.169 19.07 4 29.7 29.7 25 3 0 -1 17.688 35.376 0.17 18.93 2 21.0 7.4 26 1 1 -3 17.698 35.396 0.17 18.91 4 146.5 715.2 27 3 0 -2 17.73 35.459 0.17 18.83 2 75.5 94.6 28 0 2 0 18.202 36.404 0.175 17.78 2 131.4 270.5 29 2 1 1 18.513 37.026 0.177 17.13 4 34.4 35.7 30 2 1 -3 18.62 37.241 0.178 16.91 4 14.1 5.9 31 0 2 1 19.074 38.149 0.183 16.03 4 4.2 0.5 32 0 1 3 19.131 38.261 0.183 15.93 4 78.1 171.2 33 1 2 0 19.354 38.709 0.185 15.53 4 72.8 145.0 34 1 2 -1 19.367 38.735 0.185 15.5 4 3.5 0.3 35 3 0 0 19.4 38.801 0.186 15.44 2 88.0 105.3 36 3 0 -3 19.516 39.033 0.187 15.24 2 7.1 0.7 37 3 1 -1 19.976 39.951 0.191 14.47 4 112.3 321.5 38 3 1 -2 20.014 40.027 0.191 14.41 4 17.4 7.6 39 2 0 2 20.466 40.932 0.195 13.71 2 99.4 119.3 40 1 0 3 20.489 40.977 0.196 13.68 2 5.6 0.4 41 1 0 -4 20.575 41.15 0.196 13.55 2 27.5 9.0 42 2 0 -4 20.614 41.228 0.197 13.49 2 15.5 2.9 43 1 2 1 20.975 41.95 0.2 12.98 4 11.3 2.9 44 1 2 -2 21.011 42.023 0.2 12.93 4 54.4 67.4 45 0 2 2 21.512 43.024 0.205 12.27 4 83.2 149.6 46 3 1 0 21.534 43.068 0.205 12.24 4 8.2 1.4 47 3 1 -3 21.641 43.281 0.206 12.1 4 83.4 148.4 48 2 2 -1 21.78 43.559 0.207 11.93 4 29.2 17.9 49 2 2 0 22.513 45.027 0.214 11.07 4 15.7 4.8 50 2 1 2 22.517 45.033 0.214 11.07 4 21.9 9.3 51 3 0 1 22.529 45.058 0.214 11.05 2 25.2 6.2 52 1 1 3 22.537 45.075 0.214 11.05 4 44.5 38.6 53 2 2 -2 22.559 45.118 0.214 11.02 4 53.2 54.9 54 0 0 4 22.591 45.182 0.215 10.99 2 5.0 0.2 55 1 1 -4 22.617 45.235 0.215 10.96 4 26.2 13.3 56 2 1 -4 22.654 45.307 0.215 10.92 4 25.1 12.1 57 3 0 -4 22.7 45.4 0.216 10.87 2 52.8 26.6 58 4 0 -2 23.609 47.217 0.224 9.94 2 30.3 8.0 59 1 2 2 23.958 47.916 0.227 9.62 4 17.0 4.9 60 1 2 -3 24.012 48.025 0.227 9.57 4 61.6 63.9 61 4 0 -1 24.277 48.555 0.23 9.33 2 108.8 97.3 62 4 0 -3 24.364 48.727 0.231 9.26 2 31.9 8.3 63 3 1 1 24.441 48.883 0.231 9.19 4 2.9 0.1 64 0 1 4 24.5 48.999 0.232 9.14 4 31.1 15.6 65 3 1 -4 24.602 49.204 0.233 9.05 4 3.6 0.2 66 2 2 1 24.654 49.307 0.233 9.01 4 87.2 120.8 67 2 2 -3 24.739 49.478 0.234 8.94 4 89.9 127.2 68 0 2 3 25.148 50.295 0.238 8.61 4 70.4 75.2 69 4 1 -2 25.459 50.918 0.24 8.38 4 10.9 1.7 70 2 0 3 25.588 51.177 0.241 8.28 2 83.3 50.6 71 2 0 -5 25.754 51.509 0.243 8.16 2 17.5 2.2 72 3 2 -1 25.834 51.667 0.244 8.1 4 25.8 9.5 73 3 2 -2 25.864 51.729 0.244 8.08 4 15.6 3.5 74 4 1 -1 26.092 52.184 0.246 7.92 4 2.1 0.1 75 4 1 -3 26.174 52.348 0.247 7.86 4 1.1 0.0 76 4 0 0 26.288 52.577 0.248 7.79 2 70.8 34.3 77 1 0 4 26.289 52.578 0.248 7.79 2 8.1 0.4 78 1 0 -5 26.381 52.762 0.248 7.72 2 17.0 2.0 79 4 0 -4 26.451 52.902 0.249 7.68 2 32.6 7.2 80 3 0 2 26.688 53.376 0.251 7.52 2 13.4 1.2 81 3 0 -5 26.899 53.799 0.253 7.39 2 19.4 2.4 82 3 2 0 27.127 54.255 0.255 7.25 4 13.7 2.4 83 3 2 -3 27.217 54.434 0.256 7.19 4 19.1 4.6 84 2 1 3 27.34 54.681 0.257 7.12 4 38.1 18.3 85 2 1 -5 27.499 54.998 0.258 7.03 4 13.6 2.3 86 2 2 2 27.96 55.921 0.262 6.77 4 69.4 57.4 87 1 2 3 27.978 55.956 0.262 6.76 4 25.0 7.4 88 4 1 0 28.01 56.019 0.263 6.74 4 5.8 0.4 89 1 1 4 28.01 56.021 0.263 6.74 4 51.5 31.5 90 1 2 -4 28.047 56.093 0.263 6.72 4 64.5 49.3 91 2 2 -4 28.078 56.155 0.263 6.7 4 80.6 76.6 92 1 1 -5 28.098 56.196 0.263 6.69 4 39.0 18.0 93 4 1 -4 28.166 56.331 0.264 6.66 4 3.2 0.1 94 3 1 2 28.393 56.786 0.266 6.54 4 52.0 31.1 95 0 3 1 28.574 57.148 0.267 6.44 4 4.5 0.2 96 3 1 -5 28.596 57.191 0.268 6.43 4 9.5 1.0 97 0 0 5 28.698 57.396 0.268 6.38 2 42.8 10.3 98 1 3 0 28.78 57.561 0.269 6.34 4 32.7 12.0 99 1 3 -1 28.79 57.58 0.269 6.33 4 9.2 0.9 100 4 0 1 29.448 58.896 0.275 6.02 2 22.3 2.6 101 3 2 1 29.627 59.253 0.276 5.94 4 26.6 7.4 102 4 0 -5 29.674 59.349 0.277 5.92 2 17.6 1.6 103 0 2 4 29.678 59.356 0.277 5.91 4 26.6 7.4 104 3 2 -4 29.768 59.535 0.278 5.87 4 12.9 1.7 105 1 3 1 30.007 60.014 0.28 5.77 4 24.6 6.1 106 1 3 -2 30.035 60.07 0.28 5.76 4 12.8 1.7 107 5 0 -2 30.169 60.338 0.281 5.7 2 83.5 35.0 108 5 0 -3 30.216 60.431 0.281 5.68 2 33.4 5.6 109 0 1 5 30.328 60.656 0.282 5.63 4 44.7 19.8 110 0 3 2 30.424 60.847 0.283 5.6 4 12.5 1.5 111 4 2 -2 30.524 61.048 0.284 5.55 4 45.1 19.9 112 2 3 -1 30.633 61.267 0.285 5.51 4 54.8 29.2 113 4 1 1 31.054 62.108 0.288 5.35 4 4.0 0.1 114 4 2 -1 31.088 62.176 0.289 5.33 4 24.4 5.6 115 4 2 -3 31.161 62.322 0.289 5.31 4 28.0 7.3 116 2 3 0 31.214 62.429 0.29 5.29 4 11.0 1.1 117 2 3 -2 31.251 62.502 0.29 5.27 4 12.9 1.6 118 2 0 4 31.259 62.518 0.29 5.27 2 15.4 1.1 119 4 1 -5 31.273 62.547 0.29 5.26 4 60.5 34.0 120 5 0 -1 31.326 62.652 0.291 5.24 2 10.1 0.5 121 2 0 -6 31.441 62.883 0.292 5.2 2 61.0 17.0 122 5 0 -4 31.462 62.925 0.292 5.2 2 10.9 0.5 123 3 0 3 31.633 63.267 0.293 5.13 2 9.8 0.4 124 5 1 -2 31.753 63.507 0.294 5.09 4 28.7 7.4 125 5 1 -3 31.799 63.597 0.295 5.08 4 22.1 4.4 126 3 0 -6 31.878 63.756 0.295 5.05 2 51.7 11.9 127 2 2 3 32.21 64.42 0.298 4.94 4 14.4 1.8 128 2 2 -5 32.353 64.707 0.299 4.89 4 19.7 3.3 129 1 3 2 32.384 64.768 0.299 4.88 4 17.4 2.6 130 1 3 -3 32.429 64.857 0.3 4.86 4 87.6 65.8 131 1 0 5 32.472 64.945 0.3 4.85 2 44.2 8.3 132 1 0 -6 32.571 65.141 0.301 4.82 2 104.6 46.5 133 2 1 4 32.813 65.627 0.303 4.74 4 44.5 16.5 134 4 2 0 32.817 65.635 0.303 4.74 4 44.7 16.7 135 1 2 4 32.818 65.636 0.303 4.74 4 58.8 28.8 136 5 1 -1 32.878 65.757 0.303 4.72 4 89.4 66.5 137 1 2 -5 32.898 65.796 0.304 4.72 4 15.8 2.1 138 2 3 1 32.958 65.916 0.304 4.7 4 22.6 4.2 139 4 2 -4 32.959 65.919 0.304 4.7 4 114.4 108.2 140 2 1 -6 32.991 65.982 0.304 4.69 4 50.1 20.7 141 5 1 -4 33.011 66.023 0.305 4.68 4 17.7 2.6 142 2 3 -3 33.029 66.058 0.305 4.68 4 7.2 0.4 143 3 2 2 33.167 66.333 0.306 4.63 4 58.7 28.1 144 3 1 3 33.178 66.356 0.306 4.63 4 10.7 0.9 145 3 2 -5 33.352 66.704 0.307 4.58 4 0.9 0.0 146 0 3 3 33.37 66.74 0.307 4.57 4 52.3 22.0 147 3 1 -6 33.416 66.833 0.308 4.56 4 20.8 3.5 148 4 0 2 33.566 67.133 0.309 4.52 2 0.6 0.0 149 5 0 0 33.615 67.23 0.309 4.5 2 16.0 1.0 150 5 0 -5 33.834 67.669 0.311 4.44 2 11.8 0.5 151 4 0 -6 33.847 67.694 0.311 4.44 2 113.9 50.7 152 3 3 -1 33.948 67.895 0.312 4.41 4 88.4 60.8 153 3 3 -2 33.974 67.948 0.312 4.41 4 25.7 5.1 154 1 1 5 33.997 67.994 0.313 4.4 4 56.2 24.5 155 1 1 -6 34.093 68.186 0.313 4.37 4 29.2 6.6 156 0 2 5 34.949 69.898 0.32 4.16 4 23.5 4.0 157 3 3 0 35.054 70.108 0.321 4.13 4 15.7 1.8 158 4 1 2 35.067 70.134 0.321 4.13 4 71.7 37.4 159 5 1 0 35.115 70.23 0.322 4.12 4 50.0 18.1 160 3 3 -3 35.131 70.263 0.322 4.11 4 50.9 18.8 161 0 0 6 35.186 70.372 0.322 4.1 2 51.4 9.5 162 5 1 -5 35.33 70.66 0.323 4.07 4 36.3 9.4 163 4 1 -6 35.342 70.685 0.323 4.06 4 12.2 1.1 164 4 2 1 35.625 71.249 0.326 4.0 4 0.8 0.0 165 2 3 2 35.777 71.554 0.327 3.97 4 16.7 1.9 166 1 3 3 35.793 71.585 0.327 3.96 4 19.7 2.7 167 4 2 -5 35.83 71.659 0.327 3.96 4 27.1 5.1 168 1 3 -4 35.852 71.705 0.327 3.95 4 10.5 0.8 169 2 3 -4 35.88 71.759 0.328 3.95 4 10.7 0.8 170 5 2 -2 36.279 72.558 0.331 3.86 4 7.5 0.4 171 5 2 -3 36.322 72.643 0.331 3.85 4 0.9 0.0 172 0 1 6 36.657 73.314 0.334 3.79 4 3.4 0.1 173 6 0 -3 36.922 73.844 0.336 3.73 2 47.6 7.5 174 5 0 1 36.937 73.873 0.336 3.73 2 9.0 0.3 175 5 0 -6 37.231 74.463 0.338 3.68 2 43.9 6.2 176 3 3 1 37.248 74.495 0.338 3.67 4 13.7 1.2 177 2 2 4 37.277 74.555 0.339 3.67 4 72.1 33.6 178 3 0 4 37.28 74.561 0.339 3.67 2 58.4 11.0 179 0 3 4 37.293 74.587 0.339 3.67 4 18.4 2.2 180 5 2 -1 37.339 74.677 0.339 3.66 4 26.4 4.5 181 3 3 -4 37.374 74.747 0.339 3.65 4 7.3 0.3 182 6 0 -2 37.42 74.841 0.34 3.64 2 6.8 0.1 183 2 2 -6 37.445 74.89 0.34 3.64 4 62.3 24.9 184 5 2 -4 37.465 74.929 0.34 3.64 4 89.1 50.9 185 2 0 5 37.491 74.982 0.34 3.63 2 17.0 0.9 186 6 0 -4 37.521 75.042 0.34 3.63 2 91.2 26.5 187 3 0 -7 37.557 75.115 0.341 3.62 2 9.9 0.3 188 3 2 3 37.622 75.245 0.341 3.61 4 23.9 3.6 189 2 0 -7 37.692 75.384 0.342 3.6 2 20.8 1.4 190 3 2 -6 37.848 75.697 0.343 3.57 4 68.6 29.6 191 4 3 -2 38.052 76.105 0.345 3.54 4 0.4 0.0 192 6 1 -3 38.367 76.734 0.347 3.48 4 2.4 0.0 193 5 1 1 38.382 76.763 0.347 3.48 4 35.4 7.7 194 1 2 5 38.4 76.8 0.347 3.48 4 21.2 2.7 195 1 2 -6 38.492 76.983 0.348 3.47 4 4.3 0.1 196 4 0 3 38.536 77.073 0.348 3.46 2 43.8 5.9 197 4 3 -1 38.562 77.125 0.348 3.45 4 3.6 0.1 198 4 3 -3 38.629 77.258 0.349 3.44 4 4.4 0.1 199 0 4 0 38.663 77.325 0.349 3.44 2 195.5 115.7 200 5 1 -6 38.672 77.345 0.349 3.44 4 5.0 0.2 201 3 1 4 38.721 77.442 0.35 3.43 4 4.2 0.1 202 6 1 -2 38.859 77.719 0.351 3.41 4 20.1 2.4 203 4 0 -7 38.868 77.737 0.351 3.41 2 28.1 2.4 204 2 1 5 38.929 77.858 0.351 3.4 4 55.4 18.4 205 6 1 -4 38.959 77.917 0.351 3.4 4 10.0 0.6 206 3 1 -7 38.994 77.989 0.352 3.39 4 30.1 5.4 207 6 0 -1 39.002 78.003 0.352 3.39 2 5.6 0.1 208 2 1 -7 39.128 78.256 0.353 3.37 4 15.0 1.3 209 1 0 6 39.161 78.322 0.353 3.37 2 11.0 0.4 210 6 0 -5 39.2 78.4 0.353 3.36 2 22.4 1.5 211 0 4 1 39.203 78.406 0.353 3.36 4 3.8 0.1 212 1 0 -7 39.268 78.537 0.354 3.35 2 15.9 0.7 213 1 4 0 39.381 78.761 0.355 3.34 4 8.6 0.4 214 1 4 -1 39.389 78.778 0.355 3.33 4 11.0 0.7 215 4 2 2 39.423 78.846 0.355 3.33 4 108.8 69.4 216 5 2 0 39.469 78.937 0.355 3.32 4 51.2 15.3 217 2 3 3 39.586 79.173 0.356 3.31 4 27.5 4.4 218 5 2 -5 39.675 79.35 0.357 3.3 4 12.5 0.9 219 4 2 -6 39.687 79.373 0.357 3.29 4 15.5 1.4 220 2 3 -5 39.718 79.437 0.357 3.29 4 15.5 1.4 221 4 1 3 39.963 79.926 0.359 3.26 4 11.5 0.8 222 4 3 0 40.146 80.292 0.36 3.24 4 4.0 0.1 223 1 3 4 40.147 80.293 0.36 3.24 4 45.6 11.8 224 1 3 -5 40.221 80.441 0.361 3.23 4 26.7 4.0 225 4 3 -4 40.278 80.555 0.361 3.22 4 2.8 0.0 226 4 1 -7 40.292 80.583 0.361 3.22 4 40.6 9.3 227 6 1 -1 40.424 80.847 0.362 3.2 4 30.1 5.1 228 1 4 1 40.446 80.892 0.363 3.2 4 4.6 0.1 229 3 3 2 40.47 80.939 0.363 3.2 4 25.2 3.6 230 1 4 -2 40.471 80.942 0.363 3.2 4 28.0 4.4 231 1 1 6 40.581 81.163 0.364 3.18 4 18.0 1.8 232 6 1 -5 40.62 81.241 0.364 3.18 4 25.1 3.5 233 3 3 -5 40.642 81.283 0.364 3.18 4 1.1 0.0 234 1 1 -7 40.688 81.376 0.364 3.17 4 17.4 1.7 235 0 4 2 40.813 81.626 0.365 3.16 4 2.9 0.0 236 0 2 6 40.954 81.907 0.366 3.14 4 46.1 11.8 237 2 4 -1 40.998 81.997 0.367 3.14 4 1.6 0.0 238 5 0 2 41.219 82.438 0.368 3.11 2 53.4 7.8 239 2 4 0 41.515 83.03 0.371 3.08 4 23.3 2.9 240 2 4 -2 41.548 83.096 0.371 3.08 4 34.4 6.4 241 5 0 -7 41.586 83.173 0.371 3.08 2 3.8 0.0 242 6 0 0 41.631 83.263 0.371 3.07 2 23.1 1.4 243 6 0 -6 41.925 83.849 0.373 3.05 2 22.8 1.4 244 0 3 5 42.137 84.275 0.375 3.03 4 36.0 6.9 245 0 0 7 42.242 84.485 0.376 3.02 2 36.7 3.6 246 1 4 2 42.568 85.136 0.378 2.99 4 27.1 3.9 247 1 4 -3 42.609 85.218 0.378 2.99 4 14.2 1.1 248 6 2 -3 42.616 85.233 0.378 2.98 4 43.0 9.7 249 5 1 2 42.625 85.25 0.379 2.98 4 17.7 1.7 250 5 2 1 42.631 85.261 0.379 2.98 4 23.7 2.9 251 4 3 1 42.777 85.554 0.38 2.97 4 5.1 0.1 252 5 2 -6 42.915 85.83 0.381 2.96 4 32.5 5.5 253 3 2 4 42.962 85.924 0.381 2.96 4 0.5 0.0 254 4 3 -5 42.972 85.944 0.381 2.96 4 45.1 10.6 255 5 1 -7 42.99 85.981 0.381 2.95 4 18.7 1.8 256 6 1 0 43.035 86.07 0.381 2.95 4 17.1 1.5 257 2 4 1 43.092 86.183 0.382 2.95 4 31.6 5.2 258 6 2 -2 43.098 86.195 0.382 2.95 4 66.7 23.1 259 2 4 -3 43.156 86.313 0.382 2.94 4 5.2 0.1 260 2 2 5 43.166 86.332 0.382 2.94 4 11.9 0.7 261 6 2 -4 43.195 86.39 0.383 2.94 4 63.6 20.9 262 3 2 -7 43.23 86.46 0.383 2.94 4 19.4 1.9 263 6 1 -6 43.327 86.655 0.384 2.93 4 6.8 0.2 264 2 2 -7 43.361 86.722 0.384 2.93 4 10.0 0.5 265 5 3 -2 43.4 86.801 0.384 2.92 4 29.1 4.4 266 5 3 -3 43.441 86.882 0.384 2.92 4 11.4 0.7 267 0 4 3 43.469 86.939 0.385 2.92 4 18.2 1.7 268 0 1 7 43.644 87.287 0.386 2.91 4 35.7 6.5 269 3 0 5 43.69 87.38 0.386 2.9 2 66.4 11.3 270 3 4 -1 44.003 88.006 0.388 2.88 4 12.4 0.8 271 3 0 -8 44.006 88.013 0.388 2.88 2 88.6 19.9 272 3 4 -2 44.027 88.055 0.389 2.88 4 42.0 8.9 273 4 2 3 44.182 88.363 0.39 2.87 4 62.9 20.0 274 2 3 4 44.359 88.717 0.391 2.86 4 35.2 6.3 275 4 0 4 44.372 88.743 0.391 2.86 2 63.8 10.2 276 5 3 -1 44.418 88.835 0.391 2.86 4 78.7 31.2 277 2 0 6 44.431 88.861 0.391 2.86 2 41.1 4.3 278 4 2 -7 44.506 89.011 0.392 2.85 4 25.4 3.2 279 2 3 -6 44.521 89.041 0.392 2.85 4 41.2 8.5 280 5 3 -4 44.539 89.078 0.392 2.85 4 4.1 0.1 281 7 0 -3 44.599 89.198 0.392 2.85 2 11.5 0.3 282 6 2 -1 44.636 89.272 0.393 2.85 4 37.4 7.0 283 7 0 -4 44.656 89.311 0.393 2.85 2 20.7 1.1 284 2 0 -8 44.657 89.315 0.393 2.85 2 50.5 6.4 285 3 3 3 44.692 89.384 0.393 2.84 4 15.7 1.2 286 4 0 -8 44.761 89.521 0.394 2.84 2 8.2 0.2 287 1 2 6 44.792 89.583 0.394 2.84 4 35.4 6.3 288 6 2 -5 44.83 89.66 0.394 2.84 4 61.2 18.7 289 1 2 -7 44.897 89.794 0.395 2.83 4 0.4 0.0 290 3 3 -6 44.91 89.821 0.395 2.83 4 21.8 2.4 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 0 0 1 5.511 11.022 9.31359 7.3 1.0 1.0 5.6 2 1 0 0 6.357 12.714 8.07841 18.9 2.6 2.7 5.6 3 1 0 -1 6.394 12.787 8.03223 50.2 7.0 7.1 5.6 4 1 0 -2 10.139 20.278 5.08111 149.4 20.7 20.9 5.6 5 1 1 0 11.037 22.075 4.67206 46.6 6.5 6.5 5.6 6 2 0 0 12.794 25.588 4.0392 97.7 13.5 13.6 5.6 7 2 0 -2 12.869 25.737 4.01611 152.5 21.1 21.3 5.6 8 1 1 1 13.558 27.116 3.81545 41.0 5.7 5.7 5.6 9 0 1 2 14.333 28.666 3.61309 14.3 2.0 2.0 5.6 10 2 1 -1 14.711 29.423 3.5222 287.4 39.8 40.0 5.6 11 1 0 2 15.038 30.075 3.44746 69.3 9.6 9.6 5.6 12 1 0 -3 15.118 30.237 3.4295 14.3 2.0 2.0 5.6 13 2 1 -2 15.785 31.569 3.28818 10.5 1.5 1.5 5.6 14 2 0 1 16.048 32.097 3.23551 77.6 10.7 10.8 5.6 15 0 0 3 16.745 33.49 3.10453 32.1 4.4 4.5 5.7 16 1 1 2 17.628 35.256 2.95361 29.7 4.1 4.1 5.7 17 1 1 -3 17.698 35.396 2.94229 722.6 100.0 100.0 5.7 18 3 0 -2 17.73 35.459 2.93722 94.6 13.1 13.1 5.7 19 0 2 0 18.202 36.404 2.8635 270.5 37.4 37.4 5.7 20 2 1 1 18.513 37.026 2.81703 35.7 4.9 4.9 5.7 21 0 1 3 19.131 38.261 2.72931 171.2 23.7 23.6 5.7 22 1 2 0 19.354 38.709 2.69896 145.4 20.1 20.1 5.7 23 3 0 0 19.4 38.801 2.6928 105.3 14.6 14.5 5.7 24 3 1 -1 19.976 39.951 2.61828 321.5 44.5 44.3 5.7 25 3 1 -2 20.014 40.027 2.61353 7.6 1.1 1.1 5.7 26 2 0 2 20.466 40.932 2.55812 119.6 16.6 16.5 5.7 27 1 0 -4 20.575 41.15 2.54518 9.0 1.2 1.2 5.7 28 1 2 -2 21.011 42.023 2.49463 67.4 9.3 9.3 5.7 29 0 2 2 21.512 43.024 2.43924 151.0 20.9 20.7 5.7 30 3 1 -3 21.641 43.281 2.42544 148.4 20.5 20.4 5.7 31 2 2 -1 21.78 43.559 2.41069 17.9 2.5 2.5 5.7 32 1 1 3 22.537 45.075 2.33366 113.8 15.7 15.6 5.7 33 1 1 -4 22.617 45.235 2.32584 13.3 1.8 1.8 5.7 34 2 1 -4 22.654 45.307 2.32231 12.1 1.7 1.7 5.7 35 3 0 -4 22.7 45.4 2.31781 26.6 3.7 3.7 5.7 36 4 0 -2 23.609 47.217 2.23344 8.0 1.1 1.1 5.7 37 1 2 -3 24.012 48.025 2.19804 63.9 8.8 8.7 5.7 38 4 0 -1 24.277 48.555 2.17549 97.3 13.5 13.3 5.7 39 4 0 -3 24.364 48.727 2.16825 8.3 1.1 1.1 5.7 40 0 1 4 24.5 48.999 2.15694 15.6 2.2 2.1 5.7 41 2 2 1 24.654 49.307 2.14432 120.8 16.7 16.5 5.7 42 2 2 -3 24.739 49.478 2.13738 127.2 17.6 17.3 5.7 43 0 2 3 25.148 50.295 2.10486 75.2 10.4 10.2 5.8 44 2 0 3 25.588 51.177 2.07098 50.6 7.0 6.9 5.8 45 3 2 -1 25.834 51.667 2.05265 9.5 1.3 1.3 5.8 46 4 0 0 26.288 52.577 2.0196 34.8 4.8 4.7 5.8 47 2 1 3 27.34 54.681 1.94755 18.3 2.5 2.5 5.8 48 2 2 2 27.96 55.921 1.90773 64.8 9.0 8.8 5.8 49 1 1 4 28.01 56.021 1.9046 31.5 4.4 4.3 5.8 50 1 2 -4 28.047 56.093 1.90234 49.3 6.8 6.7 5.8 51 2 2 -4 28.078 56.155 1.90041 94.6 13.1 12.8 5.8 52 3 1 2 28.393 56.786 1.88104 31.1 4.3 4.2 5.8 53 0 0 5 28.698 57.396 1.86272 10.3 1.4 1.4 5.8 54 1 3 0 28.78 57.561 1.85783 12.9 1.8 1.7 5.8 55 3 2 1 29.627 59.253 1.80939 7.4 1.0 1.0 5.8 56 0 2 4 29.678 59.356 1.80654 9.0 1.2 1.2 5.8 57 1 3 1 30.007 60.014 1.78855 7.8 1.1 1.0 5.8 58 5 0 -2 30.169 60.338 1.77983 35.0 4.8 4.7 5.8 59 0 1 5 30.328 60.656 1.77138 19.8 2.7 2.7 5.8 60 4 2 -2 30.524 61.048 1.7611 19.9 2.8 2.7 5.8 61 2 3 -1 30.633 61.267 1.75541 29.2 4.0 3.9 5.8 62 4 2 -3 31.161 62.322 1.72861 7.3 1.0 1.0 5.8 63 4 1 -5 31.273 62.547 1.72302 36.6 5.1 4.9 5.8 64 2 0 -6 31.441 62.883 1.71475 17.6 2.4 2.4 5.9 65 5 1 -2 31.753 63.507 1.69964 7.4 1.0 1.0 5.9 66 3 0 -6 31.878 63.756 1.6937 11.9 1.6 1.6 5.9 67 1 3 -3 32.429 64.857 1.668 65.8 9.1 8.8 5.9 68 1 0 5 32.472 64.945 1.666 8.3 1.2 1.1 5.9 69 1 0 -6 32.571 65.141 1.66152 46.5 6.4 6.2 5.9 70 1 2 4 32.818 65.636 1.65038 62.0 8.6 8.3 5.9 71 5 1 -1 32.878 65.757 1.64769 68.6 9.5 9.1 5.9 72 4 2 -4 32.959 65.919 1.64409 112.5 15.6 15.0 5.9 73 2 1 -6 32.991 65.982 1.6427 23.3 3.2 3.1 5.9 74 3 2 2 33.167 66.333 1.63498 29.1 4.0 3.9 5.9 75 0 3 3 33.37 66.74 1.62616 22.0 3.0 2.9 5.9 76 4 0 -6 33.847 67.694 1.60592 50.7 7.0 6.7 5.9 77 3 3 -1 33.948 67.895 1.60172 65.9 9.1 8.7 5.9 78 1 1 5 33.997 67.994 1.59969 24.5 3.4 3.3 5.9 79 4 1 2 35.067 70.134 1.55684 39.2 5.4 5.2 5.9 80 3 3 -3 35.131 70.263 1.55436 36.9 5.1 4.9 5.9 81 0 0 6 35.186 70.372 1.55226 9.5 1.3 1.3 5.9 82 5 1 -5 35.33 70.66 1.54675 10.5 1.5 1.4 5.9 83 6 0 -3 36.922 73.844 1.48896 7.7 1.1 1.0 6.0 84 5 0 -6 37.231 74.463 1.47836 7.4 1.0 1.0 6.0 85 2 2 4 37.277 74.555 1.4768 46.7 6.5 6.1 6.0 86 5 2 -4 37.465 74.929 1.4705 75.8 10.5 9.9 6.0 87 6 0 -4 37.521 75.042 1.46861 26.5 3.7 3.5 6.0 88 3 2 -6 37.848 75.697 1.45779 29.6 4.1 3.9 6.0 89 5 1 1 38.382 76.763 1.44059 10.5 1.4 1.4 6.0 90 0 4 0 38.663 77.325 1.43175 115.9 16.0 15.1 6.0 91 2 1 5 38.929 77.858 1.42349 19.0 2.6 2.5 6.0 92 4 2 2 39.423 78.846 1.40852 69.4 9.6 9.0 6.0 93 5 2 0 39.469 78.937 1.40714 15.3 2.1 2.0 6.0 94 1 3 4 40.147 80.293 1.3873 11.8 1.6 1.5 6.0 95 4 1 -7 40.292 80.583 1.38316 9.3 1.3 1.2 6.1 96 1 4 -2 40.471 80.942 1.37809 8.0 1.1 1.0 6.1 97 0 2 6 40.954 81.907 1.36465 11.8 1.6 1.5 6.1 98 5 0 2 41.219 82.438 1.35743 7.8 1.1 1.0 6.1 99 5 2 1 42.631 85.261 1.32069 15.4 2.1 2.0 6.1 100 4 3 -5 42.972 85.944 1.31222 12.4 1.7 1.6 6.1 101 6 2 -2 43.098 86.195 1.30914 28.3 3.9 3.6 6.1 102 6 2 -4 43.195 86.39 1.30677 20.9 2.9 2.7 6.1 103 3 0 5 43.69 87.38 1.29489 11.3 1.6 1.4 6.2 104 3 0 -8 44.006 88.013 1.28748 28.9 4.0 3.7 6.2 105 4 2 3 44.182 88.363 1.28342 20.0 2.8 2.5 6.2 106 4 0 4 44.372 88.743 1.27906 16.5 2.3 2.1 6.2 107 5 3 -1 44.418 88.835 1.27801 35.4 4.9 4.5 6.2 108 2 3 -6 44.521 89.041 1.27568 11.8 1.6 1.5 6.2 109 6 2 -1 44.636 89.272 1.27308 14.5 2.0 1.8 6.2 110 6 2 -5 44.83 89.66 1.26872 18.7 2.6 2.4 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) |