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 *** *********************** FERROTSCHERMAKITE 1, f-amphiboles, sf-Ca-amphiboles, s-hornblende, DF Ca(2)(Mg,Fe)(3)(Al,Fe)(2)[Al(2)Si(6)]O(22)(OH,F)(2) Monoclinic C 2/m Z = 2 R =0.045 NR =1207 28 .5 .1992 Ref.Str.: Hawthorne F.C., Grundy H.D. (1973) * Mineral. Mag., 39, 36-48 Reserv: Na(0.23)K(0.14)Ca(1.86)Mg(1.22)Fe''(2.10)Mn(0.02)Ti(0.10) Fe'''(0.30)Al(1.30)Al(2.00)Si(6.00)O(22)(OH)(2) Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.8179 alpha = 90.0 b = 18.106 beta = 105.0 c = 5.331 gamma = 90.0 Unit cell volume (cub. angs.) = 915.36 Molar volume ( cub.cm/mol.) = 275.68 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.2799 0.0864 0.3012 0.59 Al = 0.38, Si = 0.62 2 0.2926 0.1736 0.8161 0.59 Si = 0.88, Al = 0.12 3 0.0 0.0902 0.5 0.65 Fe = 0.61, Mg = 0.39 4 0.0 0.1782 0.0 0.55 Fe = 0.2 , Mg = 0.1 , Al = 0.65 5 0.0 0.0 0.0 0.6 Fe = 0.78, Mg = 0.22 6 0.0 0.2806 0.5 0.85 Ca = 0.93, Na = 0.05, Mn = 0.01 7 0.1046 0.0936 0.2099 1.01 O = 1.00 8 0.1198 0.1766 0.7419 0.8 O = 1.00 9 0.1136 0.0 0.7126 0.99 O = 1.00 10 0.3713 0.2511 0.7951 0.89 O = 1.00 11 0.3516 0.1401 0.1093 0.99 O = 1.00 12 0.3418 0.1206 0.6021 1.01 O = 1.00 13 0.3323 0.0 0.2861 1.39 O = 1.00 14 0.0 0.4784 0.0 1.3 Na = 0.06, K = 0.01 15 0.0272 0.5 0.0621 1.74 Na = 0.06, K = 0.01 16 0.202 0.0 0.784 0.99 H = 0.99, H = 0.0 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.2799 0.0864 0.3012 2 2 0.2926 0.1736 0.8161 3 3 0.0 0.0902 0.5 4 4 0.0 0.1782 0.0 5 5 0.0 0.0 0.0 6 6 0.0 0.2806 0.5 7 7 0.1046 0.0936 0.2099 8 8 0.1198 0.1766 0.7419 9 9 0.1136 0.0 0.7126 10 10 0.3713 0.2511 0.7951 11 11 0.3516 0.1401 0.1093 12 12 0.3418 0.1206 0.6021 13 13 0.3323 0.0 0.2861 14 14 0.0 0.4784 0.0 15 15 0.0272 0.5 0.0621 16 16 0.202 0.0 0.784 17 1 0.7201 0.9136 0.6988 18 2 0.7074 0.8264 0.1839 19 3 0.0 0.9098 0.5 20 4 0.0 0.8218 0.0 21 6 0.0 0.7194 0.5 22 7 0.8954 0.9064 0.7901 23 8 0.8802 0.8234 0.2581 24 9 0.8864 0.0 0.2874 25 10 0.6287 0.7489 0.2049 26 11 0.6484 0.8599 0.8907 27 12 0.6582 0.8794 0.3979 28 13 0.6677 0.0 0.7139 29 14 0.0 0.5216 0.0 30 15 0.9728 0.5 0.9379 31 16 0.798 0.0 0.216 32 1 0.2799 0.9136 0.3012 33 2 0.2926 0.8264 0.8161 34 7 0.1046 0.9064 0.2099 35 8 0.1198 0.8234 0.7419 36 10 0.3713 0.7489 0.7951 37 11 0.3516 0.8599 0.1093 38 12 0.3418 0.8794 0.6021 39 1 0.7201 0.0864 0.6988 40 2 0.7074 0.1736 0.1839 41 7 0.8954 0.0936 0.7901 42 8 0.8802 0.1766 0.2581 43 10 0.6287 0.2511 0.2049 44 11 0.6484 0.1401 0.8907 45 12 0.6582 0.1206 0.3979 46 1 0.7799 0.4136 0.3012 47 2 0.7926 0.3264 0.8161 48 3 0.5 0.4098 0.5 49 4 0.5 0.3218 0.0 50 5 0.5 0.5 0.0 51 6 0.5 0.2194 0.5 52 7 0.6046 0.4064 0.2099 53 8 0.6198 0.3234 0.7419 54 9 0.6136 0.5 0.7126 55 10 0.8713 0.2489 0.7951 56 11 0.8516 0.3599 0.1093 57 12 0.8418 0.3794 0.6021 58 13 0.8323 0.5 0.2861 59 14 0.5 0.0216 0.0 60 15 0.5272 0.0 0.0621 61 16 0.702 0.5 0.784 62 1 0.2201 0.5864 0.6988 63 2 0.2074 0.6736 0.1839 64 3 0.5 0.5902 0.5 65 4 0.5 0.6782 0.0 66 6 0.5 0.7806 0.5 67 7 0.3954 0.5936 0.7901 68 8 0.3802 0.6766 0.2581 69 9 0.3864 0.5 0.2874 70 10 0.1287 0.7511 0.2049 71 11 0.1484 0.6401 0.8907 72 12 0.1582 0.6206 0.3979 73 13 0.1677 0.5 0.7139 74 14 0.5 0.9784 0.0 75 15 0.4728 0.0 0.9379 76 16 0.298 0.5 0.216 77 1 0.7799 0.5864 0.3012 78 2 0.7926 0.6736 0.8161 79 7 0.6046 0.5936 0.2099 80 8 0.6198 0.6766 0.7419 81 10 0.8713 0.7511 0.7951 82 11 0.8516 0.6401 0.1093 83 12 0.8418 0.6206 0.6021 84 1 0.2201 0.4136 0.6988 85 2 0.2074 0.3264 0.1839 86 7 0.3954 0.4064 0.7901 87 8 0.3802 0.3234 0.2581 88 10 0.1287 0.2489 0.2049 89 11 0.1484 0.3599 0.8907 90 12 0.1582 0.3794 0.3979 X-ray density (g/cm cub.) = 3.24 MU (1/cm) = 206.787 Mass attenuation coefficient (cm**2/g) = 63.879 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Al ,Si 2.316 4 1.668 7 1.6912 11 1.6797 12 1.6552 13 2 Si ,Al 2.316 4 1.6402 8 1.6197 10 1.6364 11 1.6556 12 3 Fe ,Mg 2.592 6 2.0669 7 2.1699 8 2.131 9 2.131 9 2.0669 7 2.1699 8 4 Fe ,Mg ,Al 2.592 6 2.0145 7 2.0286 8 2.0145 7 2.0286 8 1.9272 10 1.9272 10 5 Fe ,Mg 2.592 6 2.141 7 2.1156 9 2.141 7 2.1156 9 2.141 7 2.141 7 6 Ca ,Na ,Mn 2.88 8 2.4098 8 2.4098 8 2.3302 10 2.6366 11 2.5192 12 2.3302 10 2.6366 11 2.5192 12 7 O 3.264 11 3.1788 8 2.9492 8 3.1526 9 3.1669 9 2.7478 11 2.7411 12 2.7504 13 2.8443 9 2.6168 7 2.7334 8 2.8225 10 8 O 3.264 11 2.9492 7 3.1788 7 3.2011 9 2.763 10 2.673 11 2.6786 12 2.7334 7 3.0075 8 2.8469 10 2.7752 10 3.1696 10 9 O 3.264 10 3.1669 7 3.1526 7 3.2011 8 3.2495 13 2.8443 7 2.738 9 3.1669 7 3.1526 7 3.2011 8 2.8443 7 10 O 3.264 9 2.763 8 2.6552 11 2.5634 12 2.8812 10 2.8469 8 2.8225 7 2.7752 8 3.1696 8 3.0833 11 11 O 3.264 8 2.7478 7 2.673 8 2.6552 10 2.677 12 2.7037 12 2.7297 13 3.0258 12 3.0833 10 12 O 3.264 7 2.7411 7 2.6786 8 2.5634 10 2.7037 11 2.677 11 2.7447 13 3.0258 11 13 O 3.264 7 2.7504 7 3.2495 9 2.7297 11 2.7447 12 2.7504 7 2.7297 11 2.7447 12 14 Na ,K 3.228 6 2.7396 11 2.9016 12 2.5475 13 2.5475 13 2.7396 11 2.9016 12 15 Na ,K 3.228 8 3.1136 11 2.5041 13 3.0411 11 2.9043 12 2.5834 13 3.1136 11 3.0411 11 2.9043 12 16 H ,H 1.632 1 0.8527 9 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 2 0 5.67 11.34 0.055 201.9 2 48.7 114.3 2 1 1 0 6.112 12.224 0.06 173.45 4 107.0 948.2 3 0 0 1 10.003 20.006 0.097 63.37 2 18.4 5.1 4 1 3 0 10.118 20.235 0.098 61.89 4 45.4 60.8 5 1 1 -1 10.471 20.942 0.102 57.65 4 63.6 111.3 6 2 0 0 10.873 21.747 0.105 53.3 2 33.3 14.1 7 0 4 0 11.397 22.794 0.11 48.33 2 95.5 105.1 8 0 2 1 11.527 23.055 0.112 47.19 4 21.3 10.3 9 2 2 0 12.295 24.59 0.119 41.23 4 13.2 3.4 10 2 0 -1 12.762 25.523 0.123 38.12 2 27.9 7.1 11 1 1 1 12.92 25.839 0.125 37.15 4 28.9 14.8 12 1 3 -1 13.253 26.505 0.128 35.2 4 72.7 88.8 13 2 2 -1 14.004 28.008 0.135 31.32 4 0.6 0.0 14 0 4 1 15.254 30.508 0.147 26.09 4 34.4 14.7 15 1 3 1 15.287 30.574 0.147 25.97 4 118.3 173.4 16 1 5 0 15.331 30.663 0.148 25.81 4 17.1 3.6 17 2 4 0 15.854 31.708 0.153 24.01 4 110.2 139.2 18 3 1 0 16.693 33.385 0.161 21.48 4 203.5 424.5 19 2 0 1 16.715 33.43 0.161 21.41 2 38.3 7.5 20 3 1 -1 17.179 34.358 0.165 20.18 4 32.3 10.1 21 2 4 -1 17.241 34.481 0.166 20.02 4 7.8 0.6 22 0 6 0 17.242 34.484 0.166 20.01 2 16.0 1.2 23 1 5 -1 17.617 35.234 0.169 19.1 4 8.6 0.7 24 2 2 1 17.704 35.409 0.17 18.89 4 143.7 186.1 25 3 3 0 18.628 37.256 0.179 16.9 4 74.6 44.9 26 3 3 -1 19.071 38.142 0.183 16.04 4 108.2 89.7 27 1 5 1 19.238 38.475 0.184 15.74 4 286.3 615.9 28 1 1 -2 19.829 39.658 0.19 14.71 4 46.9 15.5 29 0 6 1 20.094 40.187 0.192 14.29 4 203.6 282.7 30 0 0 2 20.329 40.658 0.194 13.92 2 53.2 9.4 31 2 4 1 20.423 40.846 0.195 13.78 4 31.6 6.6 32 2 0 -2 20.474 40.949 0.196 13.7 2 319.7 334.2 33 2 6 0 20.569 41.139 0.196 13.56 4 16.8 1.8 34 1 7 0 21.004 42.009 0.2 12.94 4 1.6 0.0 35 0 2 2 21.173 42.346 0.202 12.71 4 3.2 0.1 36 2 2 -2 21.314 42.628 0.203 12.52 4 9.2 0.5 37 1 3 -2 21.522 43.045 0.205 12.25 4 30.9 5.6 38 2 6 -1 21.695 43.39 0.207 12.03 4 13.1 1.0 39 3 1 1 21.817 43.634 0.208 11.88 4 21.9 2.7 40 4 0 -1 21.856 43.712 0.208 11.84 2 42.3 5.1 41 3 5 0 22.062 44.123 0.21 11.59 4 80.3 35.7 42 4 0 0 22.165 44.33 0.211 11.47 2 68.8 13.0 43 3 5 -1 22.448 44.896 0.213 11.14 4 214.1 243.8 44 4 2 -1 22.654 45.307 0.215 10.92 4 119.1 73.9 45 1 1 2 22.705 45.411 0.216 10.86 4 58.7 17.9 46 1 7 -1 22.8 45.601 0.217 10.76 4 73.3 27.6 47 4 2 0 22.954 45.909 0.218 10.6 4 21.8 2.4 48 3 1 -2 22.971 45.943 0.218 10.58 4 159.0 127.7 49 0 8 0 23.279 46.558 0.221 10.27 2 26.3 1.7 50 3 3 1 23.394 46.787 0.222 10.15 4 19.5 1.8 51 0 4 2 23.558 47.116 0.223 9.99 4 21.1 2.1 52 2 4 -2 23.687 47.375 0.225 9.87 4 80.2 30.3 53 1 7 1 24.131 48.261 0.229 9.46 4 71.1 22.8 54 1 3 2 24.236 48.473 0.229 9.37 4 35.1 5.5 55 2 6 1 24.394 48.788 0.231 9.23 4 199.5 175.5 56 3 3 -2 24.49 48.98 0.232 9.15 4 54.4 12.9 57 1 5 -2 24.626 49.253 0.233 9.03 4 73.0 23.0 58 4 4 -1 24.927 49.854 0.236 8.79 4 31.6 4.2 59 4 4 0 25.207 50.414 0.238 8.57 4 9.6 0.4 60 0 8 1 25.575 51.151 0.241 8.29 4 9.6 0.4 61 2 0 2 25.856 51.713 0.244 8.09 2 231.0 103.0 62 2 8 0 25.971 51.943 0.245 8.0 4 25.4 2.5 63 4 0 -2 26.218 52.437 0.247 7.83 2 199.2 74.2 64 3 5 1 26.327 52.655 0.248 7.76 4 178.2 117.7 65 3 7 0 26.54 53.08 0.25 7.62 4 87.3 27.7 66 2 2 2 26.562 53.124 0.25 7.6 4 1.8 0.0 67 3 7 -1 26.877 53.755 0.253 7.4 4 64.5 14.7 68 4 2 -2 26.918 53.835 0.253 7.38 4 22.2 1.7 69 2 8 -1 26.921 53.841 0.253 7.38 4 45.1 7.2 70 4 0 1 27.023 54.046 0.254 7.31 2 51.8 4.7 71 1 9 0 27.033 54.066 0.254 7.31 4 29.6 3.1 72 1 5 2 27.103 54.206 0.255 7.26 4 8.3 0.2 73 0 6 2 27.173 54.345 0.255 7.22 4 0.6 0.0 74 2 6 -2 27.29 54.579 0.256 7.15 4 23.9 2.0 75 3 5 -2 27.337 54.674 0.257 7.12 4 61.2 12.7 76 5 1 -1 27.458 54.916 0.258 7.05 4 37.5 4.7 77 4 2 1 27.708 55.416 0.26 6.91 4 37.9 4.7 78 5 1 0 28.306 56.611 0.265 6.58 4 64.7 13.2 79 4 6 -1 28.415 56.831 0.266 6.52 4 84.5 22.2 80 1 9 -1 28.54 57.08 0.267 6.46 4 130.0 52.1 81 2 4 2 28.607 57.214 0.268 6.43 4 60.1 11.1 82 4 6 0 28.671 57.343 0.268 6.39 4 25.1 1.9 83 5 3 -1 28.803 57.607 0.269 6.33 4 10.6 0.3 84 1 7 -2 28.808 57.617 0.269 6.32 4 85.0 21.8 85 4 4 -2 28.945 57.89 0.271 6.26 4 64.2 12.3 86 2 8 1 29.261 58.521 0.273 6.11 4 5.3 0.1 87 0 10 0 29.605 59.209 0.276 5.95 2 150.2 32.0 88 5 3 0 29.626 59.252 0.276 5.94 4 88.5 22.2 89 1 9 1 29.683 59.367 0.277 5.91 4 34.4 3.3 90 4 4 1 29.7 59.4 0.277 5.9 4 36.2 3.7 91 3 1 2 30.269 60.539 0.282 5.66 4 9.7 0.3 92 3 7 1 30.347 60.694 0.282 5.63 4 18.5 0.9 93 2 0 -3 30.412 60.824 0.283 5.6 2 15.6 0.3 94 1 1 -3 30.491 60.981 0.284 5.57 4 31.8 2.7 95 5 1 -2 30.705 61.409 0.285 5.48 4 115.9 35.2 96 2 2 -3 31.049 62.098 0.288 5.35 4 3.8 0.0 97 1 7 2 31.056 62.113 0.288 5.35 4 20.4 1.1 98 3 7 -2 31.271 62.543 0.29 5.27 4 41.6 4.3 99 5 5 -1 31.383 62.765 0.291 5.22 4 74.8 14.0 100 0 0 3 31.407 62.814 0.291 5.22 2 60.2 4.5 101 3 3 2 31.539 63.077 0.292 5.17 4 47.2 5.5 102 0 10 1 31.578 63.156 0.293 5.15 4 67.8 11.3 103 0 8 2 31.749 63.498 0.294 5.09 4 27.2 1.8 104 1 3 -3 31.755 63.509 0.294 5.09 4 82.1 16.4 105 3 1 -3 31.803 63.607 0.295 5.07 4 43.0 4.5 106 3 9 0 31.804 63.608 0.295 5.07 4 23.5 1.3 107 2 6 2 31.824 63.648 0.295 5.07 4 11.2 0.3 108 2 8 -2 31.855 63.71 0.295 5.06 4 92.6 20.7 109 2 10 0 31.925 63.849 0.296 5.03 4 66.2 10.5 110 5 3 -2 31.964 63.928 0.296 5.02 4 14.0 0.5 111 0 2 3 32.032 64.064 0.296 5.0 4 118.7 33.6 112 3 9 -1 32.106 64.211 0.297 4.97 4 48.6 5.6 113 4 6 -2 32.142 64.283 0.297 4.96 4 3.8 0.0 114 5 5 0 32.165 64.331 0.298 4.95 4 30.1 2.1 115 2 10 -1 32.762 65.524 0.303 4.76 4 23.3 1.2 116 4 6 1 32.853 65.706 0.303 4.73 4 243.5 133.9 117 4 8 -1 32.884 65.767 0.303 4.72 4 28.0 1.8 118 2 4 -3 32.917 65.833 0.304 4.71 4 37.9 3.2 119 3 3 -3 33.039 66.079 0.305 4.67 4 21.8 1.1 120 5 1 1 33.049 66.099 0.305 4.67 4 8.5 0.2 121 4 8 0 33.119 66.238 0.305 4.65 4 108.2 26.0 122 6 0 -1 33.183 66.365 0.306 4.63 2 23.1 0.6 123 1 11 0 33.473 66.945 0.308 4.55 4 187.7 76.5 124 1 1 3 33.73 67.46 0.31 4.47 4 24.9 1.3 125 6 2 -1 33.79 67.581 0.311 4.46 4 23.8 1.2 126 1 9 -2 33.852 67.704 0.311 4.44 4 19.9 0.8 127 0 4 3 33.871 67.741 0.312 4.43 4 25.8 1.4 128 4 0 -3 33.965 67.929 0.312 4.41 2 14.0 0.2 129 3 5 2 33.997 67.995 0.313 4.4 4 14.8 0.5 130 1 5 -3 34.205 68.41 0.314 4.34 4 249.5 129.1 131 5 3 1 34.262 68.524 0.315 4.33 4 3.4 0.0 132 5 5 -2 34.407 68.814 0.316 4.29 4 19.1 0.8 133 6 0 0 34.466 68.931 0.316 4.28 2 163.6 27.3 134 4 2 -3 34.566 69.131 0.317 4.25 4 7.5 0.1 135 1 11 -1 34.811 69.621 0.319 4.19 4 17.8 0.6 136 2 10 1 34.864 69.729 0.32 4.18 4 35.4 2.5 137 1 3 3 34.931 69.862 0.32 4.16 4 2.5 0.0 138 5 7 -1 35.047 70.093 0.321 4.13 4 24.9 1.2 139 6 2 0 35.063 70.126 0.321 4.13 4 24.3 1.2 140 4 0 2 35.115 70.23 0.322 4.12 2 200.8 39.6 141 3 9 1 35.266 70.532 0.323 4.08 4 1.8 0.0 142 3 5 -3 35.445 70.89 0.324 4.04 4 74.9 10.8 143 6 4 -1 35.583 71.167 0.325 4.01 4 21.8 0.9 144 6 0 -2 35.619 71.238 0.326 4.0 2 259.7 64.4 145 4 2 2 35.707 71.414 0.326 3.98 4 38.1 2.8 146 5 7 0 35.789 71.577 0.327 3.96 4 49.4 4.6 147 1 11 1 35.841 71.681 0.327 3.95 4 14.8 0.4 148 2 6 -3 35.917 71.834 0.328 3.94 4 256.7 123.9 149 1 9 2 35.924 71.848 0.328 3.94 4 84.8 13.5 150 2 8 2 36.054 72.108 0.329 3.91 4 7.1 0.1 151 3 9 -2 36.124 72.248 0.33 3.89 4 17.5 0.6 152 6 2 -2 36.208 72.415 0.33 3.88 4 4.5 0.0 153 4 4 -3 36.342 72.683 0.331 3.85 4 20.9 0.8 154 4 8 -2 36.354 72.707 0.331 3.85 4 89.2 14.6 155 0 12 0 36.357 72.714 0.331 3.85 2 226.6 47.1 156 5 5 1 36.63 73.261 0.334 3.79 4 138.1 34.5 157 2 0 3 36.752 73.504 0.334 3.77 2 38.3 1.3 158 6 4 0 36.828 73.657 0.335 3.75 4 14.1 0.4 159 0 6 3 36.835 73.67 0.335 3.75 4 64.4 7.4 160 4 8 1 37.026 74.053 0.337 3.71 4 27.6 1.4 161 0 10 2 37.152 74.305 0.338 3.69 4 30.2 1.6 162 2 10 -2 37.251 74.502 0.338 3.67 4 135.4 32.2 163 1 5 3 37.281 74.563 0.339 3.67 4 86.0 12.9 164 2 2 3 37.334 74.667 0.339 3.66 4 59.3 6.1 165 5 1 -3 37.417 74.833 0.34 3.64 4 16.0 0.4 166 4 4 2 37.46 74.921 0.34 3.64 4 82.5 11.8 167 3 7 2 37.538 75.075 0.341 3.62 4 51.7 4.6 168 1 7 -3 37.737 75.474 0.342 3.59 4 86.0 12.7 169 3 11 0 37.783 75.566 0.342 3.58 4 142.1 34.5 170 5 7 -2 37.931 75.862 0.344 3.56 4 8.6 0.1 171 6 4 -2 37.952 75.904 0.344 3.55 4 89.3 13.5 172 3 11 -1 38.062 76.125 0.345 3.53 4 53.0 4.7 173 0 12 1 38.151 76.303 0.345 3.52 4 52.4 4.6 174 4 10 -1 38.212 76.424 0.346 3.51 4 36.2 2.2 175 4 10 0 38.433 76.866 0.347 3.47 4 104.4 18.1 176 2 12 0 38.47 76.94 0.348 3.47 4 21.1 0.7 177 6 6 -1 38.493 76.986 0.348 3.47 4 298.2 147.1 178 5 3 -3 38.57 77.139 0.349 3.45 4 65.0 7.0 179 3 7 -3 38.932 77.863 0.351 3.4 4 18.2 0.5 180 2 4 3 39.06 78.12 0.352 3.38 4 29.5 1.4 181 4 6 -3 39.23 78.461 0.354 3.36 4 64.0 6.6 182 2 12 -1 39.245 78.489 0.354 3.35 4 25.8 1.1 183 6 0 1 39.308 78.617 0.354 3.35 2 25.1 0.5 184 5 9 -1 39.69 79.38 0.357 3.29 4 53.3 4.5 185 1 11 -2 39.694 79.388 0.357 3.29 4 27.9 1.2 186 6 6 0 39.705 79.411 0.357 3.29 4 44.1 3.1 187 7 1 -1 39.766 79.532 0.358 3.28 4 12.1 0.2 188 6 2 1 39.878 79.756 0.358 3.27 4 59.7 5.6 189 2 8 -3 39.958 79.915 0.359 3.26 4 28.5 1.3 190 5 7 1 40.081 80.161 0.36 3.24 4 47.5 3.5 191 4 6 2 40.323 80.646 0.362 3.22 4 25.4 1.0 192 5 9 0 40.401 80.802 0.362 3.21 4 3.0 0.0 193 1 13 0 40.474 80.948 0.363 3.2 4 11.7 0.2 194 1 7 3 40.714 81.428 0.365 3.17 4 0.2 0.0 195 6 6 -2 40.805 81.609 0.365 3.16 4 2.3 0.0 196 0 8 3 40.846 81.691 0.366 3.15 4 21.6 0.7 197 5 5 -3 40.846 81.693 0.366 3.15 4 156.1 36.7 198 7 3 -1 40.9 81.799 0.366 3.15 4 13.0 0.3 199 5 1 2 40.996 81.992 0.367 3.14 4 200.9 60.4 200 3 1 3 40.999 81.997 0.367 3.14 4 4.5 0.0 201 3 11 1 41.033 82.065 0.367 3.13 4 2.6 0.0 202 2 12 1 41.216 82.432 0.368 3.12 4 29.5 1.3 203 2 10 2 41.222 82.443 0.368 3.11 4 75.2 8.4 204 7 1 0 41.459 82.917 0.37 3.09 4 106.6 16.8 205 6 0 -3 41.506 83.011 0.37 3.09 2 16.6 0.2 206 4 10 -2 41.51 83.019 0.37 3.09 4 60.5 5.4 207 7 1 -2 41.572 83.143 0.371 3.08 4 2.2 0.0 208 6 4 1 41.575 83.15 0.371 3.08 4 25.8 1.0 209 1 11 2 41.661 83.321 0.372 3.07 4 193.2 54.7 210 1 13 -1 41.729 83.458 0.372 3.06 4 64.7 6.1 211 3 11 -2 41.852 83.704 0.373 3.05 4 144.6 30.5 212 2 6 3 41.893 83.786 0.373 3.05 4 159.8 37.2 213 6 2 -3 42.068 84.137 0.375 3.03 4 43.6 2.7 214 3 9 2 42.091 84.183 0.375 3.03 4 4.3 0.0 215 5 3 2 42.123 84.245 0.375 3.03 4 85.9 10.7 216 3 3 3 42.125 84.251 0.375 3.03 4 22.7 0.7 217 4 10 1 42.158 84.316 0.375 3.02 4 39.5 2.2 218 2 0 -4 42.159 84.319 0.375 3.02 2 11.7 0.1 219 1 9 -3 42.285 84.57 0.376 3.01 4 65.9 6.3 220 6 8 -1 42.461 84.921 0.377 3.0 4 56.6 4.6 221 5 9 -2 42.474 84.947 0.377 3.0 4 49.8 3.6 222 7 3 0 42.583 85.167 0.378 2.99 4 32.6 1.5 223 7 3 -2 42.696 85.392 0.379 2.98 4 55.5 4.4 224 1 13 1 42.705 85.411 0.379 2.98 4 60.6 5.2 225 1 1 -4 42.716 85.432 0.379 2.98 4 162.2 37.4 226 2 2 -4 42.721 85.442 0.379 2.98 4 10.9 0.2 227 3 1 -4 42.907 85.814 0.381 2.96 4 40.9 2.4 228 7 5 -1 43.15 86.299 0.382 2.94 4 194.4 53.1 229 4 8 -3 43.183 86.367 0.383 2.94 4 5.2 0.0 230 0 12 2 43.402 86.804 0.384 2.92 4 92.6 12.0 231 3 9 -3 43.451 86.901 0.384 2.92 4 65.4 6.0 232 2 12 -2 43.497 86.994 0.385 2.92 4 208.2 60.4 233 6 8 0 43.65 87.3 0.386 2.91 4 43.5 2.6 234 6 4 -3 43.751 87.502 0.387 2.9 4 17.0 0.4 235 0 14 0 43.758 87.517 0.387 2.9 2 30.6 0.6 236 1 3 -4 43.837 87.674 0.387 2.89 4 86.3 10.3 237 0 0 4 44.012 88.025 0.388 2.88 2 154.8 16.5 238 3 3 -4 44.027 88.055 0.389 2.88 4 87.2 10.5 239 5 7 -3 44.217 88.433 0.39 2.87 4 40.2 2.2 240 4 8 2 44.259 88.518 0.39 2.87 4 31.6 1.4 241 5 5 2 44.365 88.729 0.391 2.86 4 53.9 4.0 242 3 5 3 44.367 88.735 0.391 2.86 4 55.3 4.2 243 6 6 1 44.38 88.759 0.391 2.86 4 51.5 3.6 244 4 0 -4 44.393 88.787 0.391 2.86 2 205.1 28.7 245 2 4 -4 44.401 88.803 0.391 2.86 4 20.7 0.6 246 4 12 -1 44.428 88.856 0.391 2.86 4 28.7 1.1 247 3 13 0 44.571 89.141 0.392 2.85 4 20.8 0.6 248 0 2 4 44.572 89.144 0.392 2.85 4 0.6 0.0 249 5 9 1 44.579 89.159 0.392 2.85 4 31.7 1.4 250 4 12 0 44.643 89.286 0.393 2.85 4 69.2 6.5 251 6 8 -2 44.735 89.47 0.393 2.84 4 54.3 4.0 252 7 5 0 44.823 89.647 0.394 2.84 4 5.3 0.0 253 3 13 -1 44.842 89.683 0.394 2.84 4 2.3 0.0 254 7 5 -2 44.936 89.872 0.395 2.83 4 40.0 2.2 255 4 2 -4 44.953 89.905 0.395 2.83 4 5.7 0.0 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 2 0 5.67 11.34 9.053 114.3 12.1 12.1 5.6 2 1 1 0 6.112 12.224 8.4008 948.2 100.0 100.0 5.6 3 1 3 0 10.118 20.235 5.09166 60.8 6.4 6.4 5.6 4 1 1 -1 10.471 20.942 4.9217 111.3 11.7 11.7 5.6 5 2 0 0 10.873 21.747 4.74168 14.1 1.5 1.5 5.6 6 0 4 0 11.397 22.794 4.5265 105.1 11.1 11.0 5.6 7 0 2 1 11.527 23.055 4.47595 10.3 1.1 1.1 5.6 8 1 1 1 12.92 25.839 4.00054 14.8 1.6 1.5 5.6 9 1 3 -1 13.253 26.505 3.90179 88.8 9.4 9.3 5.6 10 0 4 1 15.254 30.508 3.39972 14.7 1.6 1.5 5.6 11 1 3 1 15.287 30.574 3.39254 173.4 18.3 18.1 5.6 12 2 4 0 15.854 31.708 3.27415 139.2 14.7 14.5 5.6 13 3 1 0 16.693 33.385 3.11402 432.0 45.6 44.9 5.7 14 3 1 -1 17.179 34.358 3.02841 10.1 1.1 1.0 5.7 15 2 2 1 17.704 35.409 2.94128 186.1 19.6 19.3 5.7 16 3 3 0 18.628 37.256 2.80027 44.9 4.7 4.6 5.7 17 3 3 -1 19.071 38.142 2.73752 89.7 9.5 9.3 5.7 18 1 5 1 19.238 38.475 2.7147 615.9 65.0 63.7 5.7 19 1 1 -2 19.829 39.658 2.63685 15.5 1.6 1.6 5.7 20 0 6 1 20.094 40.187 2.60354 282.7 29.8 29.2 5.7 21 2 0 -2 20.474 40.949 2.55714 334.2 35.2 34.5 5.7 22 3 5 0 22.062 44.123 2.38141 35.7 3.8 3.7 5.7 23 4 0 0 22.165 44.33 2.37084 13.0 1.4 1.3 5.7 24 3 5 -1 22.448 44.896 2.34245 243.8 25.7 25.0 5.7 25 4 2 -1 22.654 45.307 2.3223 73.9 7.8 7.6 5.7 26 1 1 2 22.705 45.411 2.3173 17.9 1.9 1.8 5.7 27 1 7 -1 22.8 45.601 2.30816 27.6 2.9 2.8 5.7 28 3 1 -2 22.971 45.943 2.29189 130.1 13.7 13.3 5.7 29 2 4 -2 23.687 47.375 2.22643 30.3 3.2 3.1 5.7 30 1 7 1 24.131 48.261 2.18791 22.8 2.4 2.3 5.7 31 2 6 1 24.394 48.788 2.16572 175.5 18.5 17.9 5.7 32 3 3 -2 24.49 48.98 2.15776 12.9 1.4 1.3 5.7 33 1 5 -2 24.626 49.253 2.14654 23.0 2.4 2.3 5.7 34 2 0 2 25.856 51.713 2.05096 103.0 10.9 10.5 5.8 35 4 0 -2 26.218 52.437 2.02461 74.2 7.8 7.5 5.8 36 3 5 1 26.327 52.655 2.01682 117.7 12.4 12.0 5.8 37 3 7 0 26.54 53.08 2.00183 27.7 2.9 2.8 5.8 38 3 7 -1 26.877 53.755 1.97853 14.7 1.5 1.5 5.8 39 3 5 -2 27.337 54.674 1.94778 12.7 1.3 1.3 5.8 40 5 1 0 28.306 56.611 1.88635 13.2 1.4 1.3 5.8 41 4 6 -1 28.415 56.831 1.87966 22.2 2.3 2.3 5.8 42 1 9 -1 28.54 57.08 1.87214 52.1 5.5 5.3 5.8 43 2 4 2 28.607 57.214 1.86814 11.1 1.2 1.1 5.8 44 1 7 -2 28.808 57.617 1.85618 21.8 2.3 2.2 5.8 45 4 4 -2 28.945 57.89 1.84816 12.3 1.3 1.2 5.8 46 0 10 0 29.605 59.209 1.8106 54.2 5.7 5.5 5.8 47 5 1 -2 30.705 61.409 1.75174 35.2 3.7 3.5 5.8 48 5 5 -1 31.383 62.765 1.71763 18.5 1.9 1.9 5.9 49 0 10 1 31.578 63.156 1.70809 11.3 1.2 1.1 5.9 50 1 3 -3 31.755 63.509 1.69958 18.2 1.9 1.8 5.9 51 2 8 -2 31.855 63.71 1.69478 20.7 2.2 2.1 5.9 52 2 10 0 31.925 63.849 1.69148 10.5 1.1 1.1 5.9 53 0 2 3 32.032 64.064 1.68641 33.6 3.5 3.4 5.9 54 4 6 1 32.853 65.706 1.64882 133.9 14.1 13.4 5.9 55 4 8 0 33.119 66.238 1.63707 26.0 2.7 2.6 5.9 56 1 11 0 33.473 66.945 1.62175 76.5 8.1 7.6 5.9 57 1 5 -3 34.205 68.41 1.59112 129.1 13.6 12.8 5.9 58 6 0 0 34.466 68.931 1.58056 27.3 2.9 2.7 5.9 59 4 0 2 35.115 70.23 1.555 39.6 4.2 3.9 5.9 60 3 5 -3 35.445 70.89 1.54239 10.8 1.1 1.1 5.9 61 6 0 -2 35.619 71.238 1.53584 64.4 6.8 6.4 5.9 62 2 6 -3 35.917 71.834 1.52479 137.4 14.5 13.6 5.9 63 0 12 0 36.357 72.714 1.50883 61.7 6.5 6.1 6.0 64 5 5 1 36.63 73.261 1.49914 34.5 3.6 3.4 6.0 65 2 10 -2 37.251 74.502 1.47769 32.2 3.4 3.2 6.0 66 1 5 3 37.281 74.563 1.47667 12.9 1.4 1.3 6.0 67 4 4 2 37.46 74.921 1.47064 11.8 1.2 1.2 6.0 68 1 7 -3 37.737 75.474 1.46144 12.7 1.3 1.2 6.0 69 3 11 0 37.783 75.566 1.45994 34.5 3.6 3.4 6.0 70 6 4 -2 37.952 75.904 1.4544 13.5 1.4 1.3 6.0 71 4 10 0 38.433 76.866 1.43897 18.1 1.9 1.8 6.0 72 6 6 -1 38.493 76.986 1.43707 147.1 15.5 14.4 6.0 73 5 5 -3 40.846 81.693 1.36761 36.7 3.9 3.5 6.1 74 5 1 2 40.996 81.992 1.3635 60.5 6.4 5.8 6.1 75 2 10 2 41.222 82.443 1.35735 9.7 1.0 0.9 6.1 76 7 1 0 41.459 82.917 1.35099 16.8 1.8 1.6 6.1 77 1 11 2 41.661 83.321 1.34563 54.7 5.8 5.3 6.1 78 3 11 -2 41.852 83.704 1.3406 30.5 3.2 2.9 6.1 79 2 6 3 41.893 83.786 1.33952 37.2 3.9 3.6 6.1 80 5 3 2 42.123 84.245 1.33358 11.4 1.2 1.1 6.1 81 1 1 -4 42.716 85.432 1.31855 47.2 5.0 4.5 6.1 82 7 5 -1 43.15 86.299 1.30787 53.1 5.6 5.1 6.1 83 0 12 2 43.402 86.804 1.30177 12.0 1.3 1.1 6.1 84 2 12 -2 43.497 86.994 1.29948 60.4 6.4 5.8 6.1 85 1 3 -4 43.837 87.674 1.29144 10.3 1.1 1.0 6.2 86 0 0 4 44.012 88.025 1.28734 26.9 2.8 2.6 6.2 87 4 0 -4 44.393 88.787 1.27857 40.5 4.3 3.8 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) |