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 *** *********************** GOETZENITE 3, Zr, f-lamprophyllite, g-gotzenite (Ca,Zr)(2)(Ca,Na)(2)Ca(2)(Na,Ca)Ti[Si(2)O(7)](2)(F,OH,O)(4) Triclinic P 1(-) Z = 1 R =0.0041 NR =1373 7 .7 .1905 Ref.Str.: M. Bellezza, S. Merlino, N. Perchiazzi (2004) * Eur. J. Mineral., 16, 957-969 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.636 alpha = 89.94 b = 7.341 beta = 100.74 c = 5.737 gamma = 101.05 Unit cell volume (cub. angs.) = 391.07 Molar volume ( cub.cm/mol.) = 235.56 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.6322 0.9096 0.2218 0.0 Ca = 0.88, Zr = 0.14 2 0.6345 0.4078 0.2194 0.0 Ca = 1.00 3 0.9035 0.2421 0.496 0.0 Ca = 0.65, Na = 0.32 4 0.0 0.5 0.0 0.0 Na = 0.42, Ca = 0.58 5 0.0 0.0 0.0 0.0 Ti = 0.98, Ti = 0.0 6 0.7179 0.6529 0.7478 0.0 Si = 1.00 7 0.7229 0.2132 0.751 0.0 Si = 1.00 8 0.7592 0.4424 0.7899 0.0 O = 1.00 9 0.6147 0.6689 0.9339 0.0 O = 1.00 10 0.6181 0.1407 0.9314 0.0 O = 1.00 11 0.6467 0.6648 0.4764 0.0 O = 1.00 12 0.6706 0.1664 0.4755 0.0 O = 1.00 13 0.8791 0.7806 0.8184 0.0 O = 1.00 14 0.8848 0.1722 0.8307 0.0 O = 1.00 15 0.8888 0.4757 0.3059 0.0 F = 1.00 16 0.8856 0.9688 0.2635 0.0 F = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.6322 0.9096 0.2218 2 2 0.6345 0.4078 0.2194 3 3 0.9035 0.2421 0.496 4 4 0.0 0.5 0.0 5 5 0.0 0.0 0.0 6 6 0.7179 0.6529 0.7478 7 7 0.7229 0.2132 0.751 8 8 0.7592 0.4424 0.7899 9 9 0.6147 0.6689 0.9339 10 10 0.6181 0.1407 0.9314 11 11 0.6467 0.6648 0.4764 12 12 0.6706 0.1664 0.4755 13 13 0.8791 0.7806 0.8184 14 14 0.8848 0.1722 0.8307 15 15 0.8888 0.4757 0.3059 16 16 0.8856 0.9688 0.2635 17 1 0.3678 0.0904 0.7782 18 2 0.3655 0.5922 0.7806 19 3 0.0965 0.7579 0.504 20 6 0.2821 0.3471 0.2522 21 7 0.2771 0.7868 0.249 22 8 0.2408 0.5576 0.2101 23 9 0.3853 0.3311 0.0661 24 10 0.3819 0.8593 0.0686 25 11 0.3533 0.3352 0.5236 26 12 0.3294 0.8336 0.5245 27 13 0.1209 0.2194 0.1816 28 14 0.1152 0.8278 0.1693 29 15 0.1112 0.5243 0.6941 30 16 0.1144 0.0312 0.7365 X-ray density (g/cm cub.) = 3.12 MU (1/cm) = 392.376 Mass attenuation coefficient (cm**2/g) = 125.727 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca ,Zr 2.88 6 2.3805 9 2.3812 10 2.3232 11 2.3123 12 2.3631 16 2.3654 10 2 Ca 2.88 6 2.5318 9 2.5279 10 2.3671 11 2.3368 12 2.3619 15 2.3563 9 3 Ca ,Na 2.88 5 2.187 12 2.0185 14 2.045 15 2.3709 16 2.6752 15 4 Na ,Ca 2.88 8 2.3661 8 2.6737 13 2.5584 14 2.2106 15 2.3661 8 2.6737 13 2.5584 14 2.2106 15 5 Ti ,Ti 2.568 6 1.9669 13 1.9766 14 2.019 16 1.9669 13 1.9766 14 2.019 16 6 Si 2.1 4 1.6744 8 1.6073 9 1.5897 11 1.6321 13 7 Si 2.1 4 1.6581 8 1.5989 10 1.5837 12 1.6271 14 8 O 3.264 8 2.5894 9 2.5819 10 2.6497 11 2.6188 12 2.5212 13 2.5035 14 2.9815 15 3.2409 15 9 O 3.264 6 2.5894 8 3.0705 11 2.7001 11 2.7258 13 3.1828 9 3.0714 10 10 O 3.264 6 2.5819 8 3.0678 12 2.7546 12 2.705 14 3.0714 9 2.9882 10 11 O 3.264 5 2.6497 8 2.7001 9 3.0705 9 2.6876 13 3.2281 15 12 O 3.264 6 2.6188 8 2.7546 10 3.0678 10 2.6103 14 3.0742 15 3.1576 16 13 O 3.264 7 2.5212 8 2.7258 9 2.6876 11 2.8654 14 2.8893 16 2.7094 14 2.7463 16 14 O 3.264 8 2.5035 8 2.705 10 2.6103 12 2.8654 13 2.8956 16 2.7094 13 3.2444 15 2.7537 16 15 F 3.228 3 2.9815 8 3.0742 12 2.7586 15 16 F 3.228 6 3.1576 12 2.8893 13 2.8956 14 2.7463 13 2.7537 14 3.1337 16 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 1 0 0 5.528 11.055 0.054 212.57 2 7.5 15.7 2 0 1 0 7.136 14.272 0.069 126.64 2 1.0 0.2 3 -1 1 0 8.14 16.279 0.079 96.82 2 12.8 20.7 4 0 0 1 9.137 18.274 0.089 76.39 2 25.9 67.0 5 -1 0 1 9.752 19.504 0.095 66.79 2 7.9 5.5 6 1 1 0 9.869 19.737 0.096 65.17 2 31.6 85.3 7 2 0 0 11.108 22.215 0.108 50.99 2 24.6 40.4 8 0 -1 1 11.424 22.847 0.111 48.09 2 2.0 0.3 9 1 0 1 11.58 23.16 0.112 46.74 2 6.0 2.2 10 -1 1 1 11.665 23.329 0.113 46.04 2 2.2 0.3 11 0 1 1 11.835 23.671 0.115 44.66 2 20.5 24.5 12 -2 1 0 11.999 23.998 0.116 43.4 2 6.0 2.0 13 -1 -1 1 12.571 25.142 0.122 39.35 2 25.2 32.7 14 1 -1 1 12.874 25.749 0.125 37.42 2 44.3 96.0 15 -2 0 1 13.016 26.032 0.126 36.57 2 72.0 248.1 16 -2 1 1 13.966 27.932 0.135 31.5 2 41.0 69.1 17 -1 2 0 14.38 28.76 0.139 29.6 2 8.7 2.9 18 0 2 0 14.386 28.772 0.139 29.57 2 2.3 0.2 19 1 1 1 14.396 28.792 0.139 29.53 2 6.3 1.6 20 2 1 0 14.403 28.807 0.139 29.5 2 51.7 103.3 21 2 0 1 15.778 31.556 0.152 24.26 2 9.6 3.0 22 -2 -1 1 15.792 31.585 0.152 24.21 2 4.4 0.6 23 2 -1 1 16.284 32.567 0.157 22.66 2 28.4 23.8 24 -2 2 0 16.45 32.9 0.158 22.17 2 35.4 36.2 25 1 2 0 16.465 32.931 0.158 22.12 2 23.2 15.6 26 3 0 0 16.797 33.594 0.162 21.19 2 105.6 308.7 27 -1 2 1 16.84 33.681 0.162 21.07 2 57.2 90.1 28 0 -2 1 16.859 33.717 0.162 21.02 2 49.7 67.8 29 -3 1 0 16.945 33.891 0.163 20.79 2 6.8 1.3 30 0 2 1 17.436 34.871 0.167 19.53 2 152.2 591.4 31 1 -2 1 17.444 34.887 0.168 19.51 2 153.7 603.0 32 -3 0 1 17.589 35.178 0.169 19.16 2 53.8 72.4 33 -3 1 1 17.871 35.743 0.172 18.51 2 46.6 52.5 34 -2 2 1 18.111 36.222 0.174 17.97 2 7.5 1.3 35 -1 -2 1 18.138 36.276 0.174 17.92 2 1.7 0.1 36 -1 0 2 18.295 36.589 0.175 17.58 2 70.7 115.1 37 2 1 1 18.446 36.892 0.177 17.26 2 33.0 24.6 38 0 0 2 18.517 37.034 0.178 17.12 2 58.4 76.4 39 -1 1 2 19.565 39.13 0.187 15.16 2 10.9 2.4 40 3 1 0 19.637 39.274 0.188 15.04 2 8.6 1.5 41 0 -1 2 19.684 39.368 0.188 14.96 2 5.7 0.6 42 2 -2 1 19.748 39.497 0.189 14.85 2 37.4 27.1 43 1 2 1 19.75 39.5 0.189 14.84 2 46.3 41.6 44 -2 0 2 19.802 39.604 0.189 14.76 2 108.5 227.2 45 -1 -1 2 19.894 39.789 0.19 14.61 2 7.1 1.0 46 -3 2 0 20.025 40.049 0.191 14.4 2 52.8 52.6 47 2 2 0 20.047 40.093 0.192 14.36 2 42.8 34.3 48 0 1 2 20.191 40.382 0.193 14.13 2 15.1 4.2 49 -3 -1 1 20.208 40.416 0.193 14.11 2 4.0 0.3 50 1 0 2 20.421 40.842 0.195 13.78 2 17.0 5.2 51 -2 1 2 20.593 41.185 0.197 13.53 2 41.2 30.0 52 3 0 1 20.803 41.605 0.199 13.22 2 109.2 206.2 53 3 -1 1 20.805 41.609 0.199 13.22 2 3.8 0.2 54 -3 2 1 20.955 41.909 0.2 13.01 2 48.5 40.0 55 -2 -2 1 20.987 41.974 0.2 12.96 2 55.0 51.4 56 1 -1 2 21.107 42.213 0.201 12.8 2 7.3 0.9 57 -1 3 0 21.488 42.975 0.205 12.3 2 1.5 0.0 58 -2 -1 2 21.698 43.396 0.207 12.03 2 12.7 2.5 59 0 3 0 21.881 43.762 0.208 11.81 2 14.7 3.4 60 1 1 2 22.356 44.713 0.213 11.25 2 19.7 5.7 61 -4 1 0 22.402 44.804 0.213 11.2 2 43.3 27.5 62 -2 3 0 22.627 45.254 0.215 10.95 2 10.4 1.6 63 4 0 0 22.663 45.326 0.215 10.91 2 92.4 121.7 64 -4 1 1 22.679 45.358 0.216 10.89 2 13.7 2.7 65 -3 0 2 22.751 45.502 0.216 10.81 2 24.6 8.6 66 -4 0 1 22.824 45.648 0.217 10.73 2 27.9 10.9 67 -3 1 2 23.092 46.185 0.219 10.45 2 16.1 3.5 68 -1 2 2 23.312 46.624 0.221 10.23 2 66.1 58.4 69 0 -2 2 23.336 46.672 0.221 10.21 2 66.7 59.5 70 3 1 1 23.341 46.682 0.221 10.2 2 32.9 14.4 71 3 -2 1 23.346 46.692 0.222 10.2 2 8.0 0.9 72 2 2 1 23.355 46.711 0.222 10.19 2 19.1 4.9 73 -1 3 1 23.409 46.819 0.222 10.14 2 19.4 5.0 74 0 -3 1 23.566 47.133 0.223 9.98 2 4.4 0.3 75 1 -3 1 23.651 47.303 0.224 9.9 2 12.9 2.2 76 2 0 2 23.671 47.341 0.224 9.88 2 43.8 24.8 77 1 3 0 23.747 47.493 0.225 9.81 2 34.3 15.1 78 -2 2 2 23.852 47.703 0.226 9.72 2 82.5 86.4 79 -1 -2 2 23.883 47.766 0.226 9.69 2 79.1 79.2 80 2 -1 2 23.924 47.848 0.227 9.65 2 31.8 12.8 81 -2 3 1 24.035 48.07 0.228 9.55 2 22.2 6.2 82 0 2 2 24.217 48.435 0.229 9.39 2 7.6 0.7 83 0 3 1 24.225 48.45 0.229 9.38 2 9.1 1.0 84 1 -2 2 24.233 48.467 0.229 9.37 2 9.8 1.2 85 -4 2 0 24.569 49.138 0.232 9.08 2 1.6 0.0 86 3 2 0 24.595 49.19 0.233 9.06 2 7.8 0.7 87 -3 -1 2 24.815 49.631 0.235 8.88 2 37.4 16.3 88 -1 -3 1 24.904 49.807 0.235 8.81 2 9.8 1.1 89 -4 2 1 24.934 49.867 0.236 8.78 2 48.6 27.2 90 -3 -2 1 24.969 49.938 0.236 8.75 2 41.4 19.7 91 -3 3 0 25.136 50.271 0.237 8.62 2 28.1 8.9 92 2 -3 1 25.148 50.295 0.238 8.61 2 7.3 0.6 93 4 1 0 25.294 50.587 0.239 8.5 2 0.8 0.0 94 -4 -1 1 25.337 50.675 0.239 8.47 2 29.9 9.9 95 2 1 2 25.753 51.506 0.243 8.16 2 9.6 1.0 96 -3 2 2 25.767 51.534 0.243 8.15 2 31.6 10.6 97 -2 -2 2 25.804 51.608 0.243 8.12 2 39.4 16.5 98 4 -1 1 26.005 52.011 0.245 7.98 2 4.7 0.2 99 -3 3 1 26.023 52.046 0.245 7.97 2 38.6 15.6 100 4 0 1 26.341 52.683 0.248 7.75 2 22.4 5.1 101 1 3 1 26.381 52.762 0.248 7.72 2 34.2 11.8 102 1 2 2 26.456 52.911 0.249 7.67 2 48.0 23.1 103 2 -2 2 26.464 52.927 0.249 7.67 2 49.5 24.6 104 -4 1 2 26.745 53.49 0.252 7.49 2 11.4 1.3 105 -4 0 2 26.772 53.545 0.252 7.47 2 34.9 11.9 106 2 3 0 26.85 53.699 0.252 7.42 2 3.7 0.1 107 -2 -3 1 27.509 55.019 0.258 7.02 2 4.4 0.2 108 3 -1 2 27.819 55.638 0.261 6.85 2 21.5 4.1 109 4 -2 1 27.866 55.732 0.261 6.82 2 112.7 113.2 110 3 2 1 27.881 55.762 0.261 6.81 2 121.7 131.9 111 3 -3 1 27.888 55.777 0.261 6.81 2 4.7 0.2 112 -1 0 3 27.89 55.779 0.261 6.81 2 34.4 10.5 113 3 0 2 27.916 55.831 0.262 6.79 2 15.2 2.0 114 -5 1 1 28.09 56.18 0.263 6.7 2 1.3 0.0 115 -5 1 0 28.254 56.507 0.265 6.61 2 12.0 1.2 116 0 0 3 28.449 56.898 0.266 6.51 2 47.9 19.5 117 -5 0 1 28.534 57.068 0.267 6.46 2 141.5 169.3 118 -2 0 3 28.606 57.213 0.268 6.43 2 0.1 0.0 119 0 -3 2 28.742 57.485 0.269 6.36 2 8.6 0.6 120 -4 3 0 28.752 57.504 0.269 6.35 2 40.5 13.6 121 -1 3 2 28.79 57.581 0.269 6.33 2 9.1 0.7 122 5 0 0 28.792 57.584 0.269 6.33 2 18.5 2.8 123 4 1 1 28.821 57.642 0.269 6.32 2 16.9 2.4 124 -4 2 2 28.862 57.723 0.27 6.3 2 47.0 18.2 125 -3 -2 2 28.902 57.805 0.27 6.28 2 37.0 11.2 126 -1 1 3 28.918 57.837 0.27 6.27 2 27.7 6.3 127 -4 -1 2 28.94 57.88 0.27 6.26 2 41.5 14.1 128 -2 3 2 28.942 57.884 0.271 6.26 2 23.5 4.5 129 -1 -1 3 28.974 57.947 0.271 6.24 2 3.0 0.1 130 -1 4 0 29.168 58.337 0.272 6.15 2 191.3 294.3 131 -4 3 1 29.176 58.351 0.273 6.15 2 22.2 4.0 132 0 -1 3 29.207 58.414 0.273 6.13 2 3.0 0.1 133 1 -3 2 29.208 58.417 0.273 6.13 2 15.3 1.9 134 -2 1 3 29.307 58.614 0.274 6.08 2 17.2 2.4 135 -1 -3 2 29.528 59.057 0.276 5.98 2 6.5 0.3 136 2 3 1 29.672 59.345 0.277 5.92 2 45.4 16.0 137 -5 2 1 29.741 59.483 0.277 5.89 2 22.5 3.9 138 0 1 3 29.776 59.552 0.278 5.87 2 14.9 1.7 139 -4 -2 1 29.779 59.559 0.278 5.87 2 25.5 5.0 140 -2 4 0 29.782 59.565 0.278 5.87 2 12.7 1.2 141 0 4 0 29.795 59.591 0.278 5.86 2 4.7 0.2 142 -5 2 0 29.805 59.61 0.278 5.86 2 31.7 7.7 143 2 2 2 29.817 59.635 0.278 5.85 2 59.2 26.8 144 3 -2 2 29.818 59.636 0.278 5.85 2 52.2 20.9 145 4 2 0 29.835 59.669 0.278 5.85 2 28.6 6.3 146 0 3 2 29.885 59.77 0.279 5.82 2 19.3 2.8 147 -2 -1 3 29.983 59.966 0.279 5.78 2 29.9 6.8 148 3 1 2 30.096 60.191 0.28 5.73 2 30.0 6.7 149 1 0 3 30.239 60.478 0.282 5.67 2 19.9 2.9 150 -3 3 2 30.328 60.657 0.282 5.63 2 8.1 0.5 151 -3 0 3 30.541 61.083 0.284 5.55 2 82.3 49.2 152 1 -1 3 30.666 61.332 0.285 5.5 2 11.2 0.9 153 -1 4 1 30.828 61.657 0.286 5.43 2 13.2 1.2 154 1 -4 1 30.845 61.69 0.287 5.43 2 9.0 0.6 155 2 -3 2 30.891 61.781 0.287 5.41 2 60.8 26.1 156 -3 1 3 30.913 61.826 0.287 5.4 2 16.6 2.0 157 3 3 0 30.942 61.885 0.287 5.39 2 7.7 0.4 158 -5 -1 1 31.016 62.032 0.288 5.36 2 11.3 0.9 159 -2 4 1 31.048 62.096 0.288 5.35 2 12.8 1.1 160 0 -4 1 31.077 62.155 0.289 5.34 2 22.8 3.6 161 -3 -3 1 31.173 62.345 0.289 5.3 2 28.2 5.5 162 -5 1 2 31.291 62.582 0.29 5.26 2 4.7 0.2 163 5 1 0 31.353 62.706 0.291 5.23 2 15.4 1.6 164 -2 -3 2 31.508 63.016 0.292 5.18 2 40.4 11.1 165 -3 4 0 31.593 63.186 0.293 5.15 2 15.6 1.6 166 -5 0 2 31.616 63.232 0.293 5.14 2 32.9 7.3 167 1 4 0 31.619 63.237 0.293 5.14 2 1.8 0.0 168 4 -3 1 31.664 63.327 0.293 5.12 2 10.3 0.7 169 5 -1 1 31.749 63.499 0.294 5.09 2 11.2 0.8 170 0 4 1 31.808 63.616 0.295 5.07 2 9.0 0.5 171 2 -4 1 31.812 63.623 0.295 5.07 2 17.1 1.9 172 1 1 3 31.819 63.637 0.295 5.07 2 35.4 8.3 173 -1 2 3 31.93 63.861 0.296 5.03 2 112.4 83.2 174 0 -2 3 31.958 63.916 0.296 5.02 2 111.4 81.4 175 -2 2 3 32.001 64.001 0.296 5.01 2 79.9 41.8 176 -1 -2 3 32.034 64.069 0.297 4.99 2 89.0 51.7 177 1 3 2 32.148 64.296 0.297 4.96 2 21.6 3.0 178 -3 -1 3 32.164 64.329 0.298 4.95 2 5.2 0.2 179 5 0 1 32.342 64.684 0.299 4.89 2 7.4 0.3 180 -3 4 1 32.452 64.905 0.3 4.86 2 47.3 14.2 181 -1 -4 1 32.494 64.987 0.3 4.84 2 37.4 8.9 182 4 -1 2 32.563 65.125 0.301 4.82 2 5.2 0.2 183 -4 3 2 32.856 65.712 0.303 4.73 2 14.3 1.3 184 -5 2 2 32.933 65.867 0.304 4.7 2 118.2 85.9 185 4 0 2 32.944 65.888 0.304 4.7 2 27.9 4.8 186 -4 -2 2 32.977 65.955 0.304 4.69 2 116.2 82.9 187 0 2 3 33.034 66.068 0.305 4.67 2 1.2 0.0 188 1 -2 3 33.055 66.11 0.305 4.67 2 8.9 0.5 189 5 -2 1 33.114 66.228 0.305 4.65 2 27.1 4.5 190 4 2 1 33.134 66.267 0.306 4.64 2 22.8 3.1 191 2 0 3 33.14 66.28 0.306 4.64 2 60.9 22.5 192 -3 2 3 33.241 66.482 0.306 4.61 2 33.2 6.7 193 2 -1 3 33.256 66.511 0.307 4.61 2 13.6 1.1 194 -5 3 0 33.267 66.534 0.307 4.6 2 25.0 3.8 195 -2 -2 3 33.28 66.561 0.307 4.6 2 22.5 3.0 196 -5 3 1 33.296 66.592 0.307 4.6 2 17.5 1.8 197 -4 0 3 33.571 67.141 0.309 4.52 2 49.8 14.7 198 -4 1 3 33.635 67.27 0.31 4.5 2 34.5 7.0 199 3 -3 2 33.684 67.367 0.31 4.49 2 28.1 4.6 200 -5 -1 2 33.878 67.756 0.312 4.43 2 8.3 0.4 201 3 3 1 33.911 67.822 0.312 4.42 2 24.3 3.4 202 3 -4 1 33.92 67.84 0.312 4.42 2 9.7 0.5 203 1 4 1 33.929 67.857 0.312 4.42 2 11.3 0.7 204 -6 1 1 34.038 68.075 0.313 4.39 2 22.4 2.9 205 4 -2 2 34.11 68.221 0.313 4.37 2 115.1 75.7 206 3 2 2 34.116 68.232 0.314 4.37 2 107.5 66.1 207 -4 4 0 34.496 68.992 0.317 4.27 2 75.0 31.4 208 2 4 0 34.532 69.065 0.317 4.26 2 86.5 41.6 209 -6 1 0 34.541 69.082 0.317 4.26 2 26.7 4.0 210 -3 -3 2 34.567 69.134 0.317 4.25 2 32.3 5.8 211 -6 0 1 34.722 69.444 0.318 4.21 2 41.8 9.6 212 5 1 1 34.84 69.68 0.319 4.18 2 11.7 0.7 213 2 1 3 34.932 69.865 0.32 4.16 2 11.8 0.8 214 -4 4 1 34.966 69.932 0.32 4.15 2 31.5 5.4 215 -2 -4 1 35.018 70.035 0.321 4.14 2 44.8 10.9 216 4 1 2 35.224 70.448 0.322 4.09 2 37.1 7.4 217 -6 2 1 35.246 70.493 0.323 4.09 2 42.3 9.5 218 1 2 3 35.256 70.512 0.323 4.08 2 47.5 12.1 219 2 -2 3 35.27 70.54 0.323 4.08 2 40.1 8.6 220 -5 -2 1 35.287 70.574 0.323 4.08 2 39.7 8.4 221 6 0 0 35.307 70.614 0.323 4.07 2 4.9 0.1 222 -4 -1 3 35.402 70.805 0.324 4.05 2 8.8 0.4 223 -2 4 2 35.409 70.818 0.324 4.05 2 49.1 12.8 224 0 -4 2 35.452 70.904 0.324 4.04 2 51.0 13.7 225 2 3 2 35.461 70.922 0.324 4.04 2 14.1 1.0 226 -1 4 2 35.556 71.112 0.325 4.02 2 30.2 4.8 227 1 -4 2 35.587 71.174 0.325 4.01 2 32.6 5.6 228 -4 2 3 35.59 71.18 0.325 4.01 2 45.7 10.9 229 -3 -2 3 35.634 71.268 0.326 4.0 2 52.7 14.5 230 -6 2 0 35.656 71.313 0.326 3.99 2 84.1 36.9 231 5 2 0 35.689 71.378 0.326 3.99 2 86.6 39.1 232 -4 -3 1 35.733 71.467 0.326 3.98 2 40.1 8.4 233 4 3 0 35.869 71.738 0.328 3.95 2 12.0 0.7 234 5 -3 1 36.323 72.647 0.331 3.85 2 20.9 2.2 235 -3 4 2 36.382 72.765 0.332 3.84 2 60.2 18.2 236 -5 3 2 36.406 72.812 0.332 3.84 2 18.4 1.7 237 -1 -4 2 36.437 72.873 0.332 3.83 2 72.9 26.6 238 -2 3 3 36.446 72.892 0.332 3.83 2 13.8 1.0 239 0 -3 3 36.455 72.91 0.332 3.83 2 7.9 0.3 240 -6 1 2 36.604 73.209 0.333 3.8 2 5.9 0.2 241 -1 3 3 36.659 73.318 0.334 3.79 2 1.2 0.0 242 -1 -3 3 36.806 73.611 0.335 3.76 2 22.1 2.4 243 0 4 2 36.818 73.635 0.335 3.75 2 34.9 6.0 244 2 -4 2 36.836 73.673 0.335 3.75 2 32.6 5.2 245 3 -1 3 36.861 73.722 0.335 3.75 2 22.7 2.5 246 3 0 3 37.029 74.058 0.337 3.71 2 74.8 27.2 247 4 -4 1 37.079 74.157 0.337 3.71 2 98.8 47.3 248 2 4 1 37.099 74.197 0.337 3.7 2 80.5 31.4 249 -6 0 2 37.184 74.368 0.338 3.69 2 7.2 0.2 250 1 -3 3 37.213 74.425 0.338 3.68 2 7.5 0.3 251 -6 -1 1 37.253 74.507 0.338 3.67 2 19.2 1.8 252 -3 3 3 37.341 74.681 0.339 3.66 2 8.1 0.3 253 -5 1 3 37.361 74.721 0.339 3.65 2 24.6 2.9 254 4 -3 2 37.474 74.948 0.34 3.63 2 8.1 0.3 255 -1 5 0 37.57 75.139 0.341 3.62 2 9.1 0.4 256 -5 0 3 37.576 75.152 0.341 3.62 2 30.0 4.3 257 -2 5 0 37.837 75.674 0.343 3.57 2 11.5 0.6 258 -6 2 2 37.862 75.724 0.343 3.57 2 40.5 7.6 259 6 1 0 37.906 75.813 0.343 3.56 2 5.2 0.1 260 -5 -2 2 37.909 75.819 0.343 3.56 2 40.0 7.5 261 0 3 3 37.974 75.947 0.344 3.55 2 22.1 2.3 262 6 -1 1 38.062 76.125 0.345 3.53 2 0.7 0.0 263 5 -1 2 38.064 76.129 0.345 3.53 2 9.9 0.5 264 -2 -3 3 38.254 76.508 0.346 3.5 2 27.2 3.4 265 -6 3 1 38.271 76.542 0.346 3.5 2 11.3 0.6 266 -5 4 0 38.387 76.774 0.347 3.48 2 59.2 16.0 267 0 5 0 38.399 76.798 0.347 3.48 2 20.9 2.0 268 3 4 0 38.434 76.867 0.347 3.47 2 51.5 12.1 269 -4 4 2 38.442 76.884 0.348 3.47 2 8.0 0.3 270 -5 4 1 38.497 76.995 0.348 3.46 2 30.4 4.2 271 -2 -4 2 38.507 77.014 0.348 3.46 2 10.2 0.5 272 2 2 3 38.514 77.028 0.348 3.46 2 36.3 6.0 273 3 -2 3 38.522 77.044 0.348 3.46 2 29.7 4.0 274 -3 -4 1 38.559 77.118 0.348 3.46 2 14.3 0.9 275 -6 3 0 38.585 77.17 0.349 3.45 2 8.7 0.3 276 -4 -3 2 38.602 77.203 0.349 3.45 2 3.1 0.0 277 -1 0 4 38.617 77.234 0.349 3.45 2 24.0 2.6 278 5 0 2 38.696 77.391 0.349 3.43 2 28.9 3.8 279 6 0 1 38.884 77.768 0.351 3.41 2 82.0 29.9 280 -2 0 4 38.888 77.777 0.351 3.41 2 88.9 35.2 281 -5 2 3 38.967 77.933 0.352 3.39 2 13.2 0.8 282 1 -5 1 38.979 77.958 0.352 3.39 2 9.3 0.4 283 4 3 1 38.997 77.995 0.352 3.39 2 6.7 0.2 284 -4 -2 3 39.015 78.03 0.352 3.39 2 9.3 0.4 285 3 1 3 39.018 78.036 0.352 3.39 2 4.9 0.1 286 -2 5 1 39.055 78.11 0.352 3.38 2 1.9 0.0 287 6 -2 1 39.055 78.111 0.352 3.38 2 6.1 0.2 288 2 -3 3 39.056 78.113 0.352 3.38 2 7.8 0.3 289 5 2 1 39.08 78.159 0.352 3.38 2 5.4 0.1 290 -1 5 1 39.13 78.26 0.353 3.37 2 32.1 4.5 291 1 4 2 39.153 78.307 0.353 3.37 2 41.6 7.6 292 3 -4 2 39.16 78.321 0.353 3.37 2 32.3 4.6 293 -3 5 0 39.194 78.387 0.353 3.36 2 12.1 0.6 294 5 -2 2 39.247 78.495 0.354 3.35 2 50.1 11.0 295 4 2 2 39.258 78.516 0.354 3.35 2 49.3 10.7 296 -4 3 3 39.317 78.634 0.354 3.34 2 3.3 0.0 297 0 0 4 39.433 78.866 0.355 3.33 2 121.4 64.2 298 0 -5 1 39.461 78.922 0.355 3.33 2 23.4 2.4 299 -1 -1 4 39.462 78.923 0.355 3.32 2 21.0 1.9 300 -6 -1 2 39.573 79.147 0.356 3.31 2 14.9 1.0 301 -2 1 4 39.577 79.154 0.356 3.31 2 3.7 0.1 302 -1 1 4 39.579 79.159 0.356 3.31 2 7.1 0.2 303 2 -5 1 39.582 79.165 0.356 3.31 2 44.2 8.5 304 -5 -1 3 39.604 79.207 0.356 3.31 2 9.4 0.4 305 3 3 2 39.731 79.463 0.357 3.29 2 19.0 1.5 306 0 -1 4 40.002 80.003 0.359 3.25 2 5.6 0.1 307 -2 -1 4 40.003 80.006 0.359 3.25 2 25.5 2.8 308 -3 5 1 40.063 80.125 0.36 3.25 2 34.9 5.2 309 -3 0 4 40.241 80.483 0.361 3.22 2 83.0 29.1 310 0 5 1 40.287 80.574 0.361 3.22 2 22.0 2.0 311 1 5 0 40.304 80.608 0.362 3.22 2 45.1 8.6 312 1 3 3 40.354 80.709 0.362 3.21 2 9.2 0.4 313 -7 1 1 40.598 81.195 0.364 3.18 2 7.4 0.2 314 -3 1 4 40.654 81.308 0.364 3.18 2 10.2 0.4 315 0 1 4 40.66 81.321 0.364 3.18 2 0.9 0.0 316 -3 -3 3 40.763 81.527 0.365 3.16 2 14.2 0.8 317 -6 3 2 40.902 81.804 0.366 3.15 2 5.8 0.1 318 -1 -5 1 41.018 82.036 0.367 3.14 2 27.0 3.0 319 5 1 2 41.118 82.235 0.368 3.13 2 7.7 0.2 320 -5 -3 1 41.136 82.273 0.368 3.12 2 9.8 0.4 321 5 -4 1 41.216 82.433 0.368 3.12 2 29.6 3.6 322 3 4 1 41.247 82.495 0.369 3.11 2 24.5 2.4 323 3 -5 1 41.258 82.517 0.369 3.11 2 9.6 0.4 324 1 0 4 41.319 82.638 0.369 3.1 2 12.9 0.7 325 -7 1 0 41.407 82.813 0.37 3.1 2 14.3 0.8 326 4 -1 3 41.412 82.825 0.37 3.09 2 29.4 3.5 327 -7 2 1 41.469 82.938 0.37 3.09 2 35.2 5.0 328 6 1 1 41.491 82.981 0.37 3.09 2 11.5 0.5 329 -7 0 1 41.511 83.023 0.37 3.09 2 28.7 3.3 330 -6 -2 1 41.514 83.027 0.371 3.08 2 31.9 4.1 331 -5 4 2 41.542 83.084 0.371 3.08 2 21.8 1.9 332 5 3 0 41.601 83.203 0.371 3.08 2 7.6 0.2 333 -4 5 0 41.611 83.222 0.371 3.08 2 6.5 0.2 334 1 -1 4 41.613 83.226 0.371 3.07 2 14.5 0.9 335 -3 -1 4 41.616 83.232 0.371 3.07 2 6.1 0.2 336 -3 -4 2 41.617 83.234 0.371 3.07 2 30.6 3.8 337 6 -3 1 41.828 83.656 0.373 3.05 2 6.8 0.2 338 4 0 3 41.844 83.688 0.373 3.05 2 74.4 22.1 339 3 -3 3 41.947 83.894 0.374 3.04 2 35.3 5.0 340 -6 1 3 42.029 84.058 0.374 3.04 2 2.1 0.0 341 -2 2 4 42.048 84.095 0.374 3.03 2 9.1 0.3 342 -1 -2 4 42.086 84.171 0.375 3.03 2 1.0 0.0 343 -4 5 1 42.135 84.27 0.375 3.03 2 50.3 10.0 344 -7 2 0 42.193 84.387 0.375 3.02 2 16.4 1.1 345 5 -3 2 42.204 84.407 0.376 3.02 2 8.3 0.3 346 6 2 0 42.23 84.461 0.376 3.02 2 7.5 0.2 347 -1 2 4 42.318 84.636 0.376 3.01 2 15.7 1.0 348 -5 3 3 42.336 84.672 0.376 3.01 2 18.6 1.4 349 0 -2 4 42.351 84.701 0.377 3.01 2 10.5 0.4 350 7 0 0 42.399 84.798 0.377 3.0 2 6.7 0.2 351 -2 4 3 42.468 84.936 0.377 3.0 2 45.5 8.1 352 1 5 1 42.505 85.011 0.378 2.99 2 34.9 4.8 353 -6 0 3 42.506 85.013 0.378 2.99 2 82.0 26.3 354 4 -4 2 42.515 85.03 0.378 2.99 2 15.3 0.9 355 2 4 2 42.52 85.039 0.378 2.99 2 0.2 0.0 356 0 -4 3 42.523 85.047 0.378 2.99 2 39.7 6.2 357 -4 0 4 42.652 85.304 0.379 2.98 2 4.5 0.1 358 -7 1 2 42.701 85.401 0.379 2.98 2 18.8 1.4 359 3 2 3 42.757 85.514 0.379 2.97 2 34.7 4.7 360 4 -2 3 42.759 85.519 0.38 2.97 2 40.4 6.3 361 -4 1 4 42.793 85.586 0.38 2.97 2 24.0 2.2 362 1 1 4 42.804 85.607 0.38 2.97 2 11.8 0.5 363 -3 2 4 42.845 85.689 0.38 2.97 2 42.9 7.1 364 -2 -2 4 42.888 85.777 0.38 2.96 2 36.7 5.2 365 -1 4 3 42.941 85.882 0.381 2.96 2 28.2 3.1 366 1 -4 3 42.985 85.97 0.381 2.96 2 21.1 1.7 367 -6 4 1 42.998 85.996 0.381 2.95 2 114.6 50.7 368 -3 4 3 43.062 86.123 0.382 2.95 2 7.5 0.2 369 -4 -4 1 43.07 86.139 0.382 2.95 2 113.9 50.0 370 -1 -4 3 43.128 86.257 0.382 2.94 2 6.8 0.2 371 -2 5 2 43.172 86.344 0.382 2.94 2 5.2 0.1 372 -6 4 0 43.224 86.447 0.383 2.94 2 0.4 0.0 373 2 5 0 43.255 86.51 0.383 2.93 2 9.2 0.3 374 4 4 0 43.28 86.56 0.383 2.93 2 2.7 0.0 375 1 -5 2 43.283 86.565 0.383 2.93 2 15.1 0.9 376 -6 2 3 43.326 86.653 0.384 2.93 2 51.7 10.3 377 -5 -2 3 43.38 86.759 0.384 2.93 2 52.7 10.6 378 0 -5 2 43.422 86.845 0.384 2.92 2 10.5 0.4 379 -7 0 2 43.526 87.053 0.385 2.92 2 13.9 0.7 380 -5 -3 2 43.576 87.151 0.385 2.91 2 15.1 0.9 381 -1 5 2 43.579 87.158 0.385 2.91 2 14.4 0.8 382 -2 -5 1 43.629 87.258 0.386 2.91 2 13.3 0.7 383 -7 2 2 43.647 87.294 0.386 2.91 2 70.8 19.1 384 0 2 4 43.654 87.309 0.386 2.91 2 2.4 0.0 385 1 -2 4 43.681 87.362 0.386 2.91 2 5.4 0.1 386 -6 -2 2 43.699 87.397 0.386 2.9 2 72.2 19.8 387 2 3 3 43.768 87.536 0.387 2.9 2 7.0 0.2 388 -3 5 2 43.83 87.66 0.387 2.9 2 44.9 7.6 389 4 -5 1 43.987 87.973 0.388 2.89 2 18.7 1.3 390 4 1 3 44.047 88.094 0.389 2.88 2 3.2 0.0 391 -7 3 1 44.11 88.219 0.389 2.88 2 17.1 1.1 392 -7 -1 1 44.193 88.387 0.39 2.87 2 20.1 1.5 393 2 -5 2 44.207 88.414 0.39 2.87 2 16.5 1.0 394 2 0 4 44.254 88.508 0.39 2.87 2 55.9 11.7 395 2 -1 4 44.278 88.557 0.39 2.87 2 6.1 0.1 396 -4 -1 4 44.283 88.566 0.39 2.87 2 3.0 0.0 397 -4 -3 3 44.305 88.609 0.39 2.87 2 3.0 0.0 398 6 -1 2 44.378 88.755 0.391 2.86 2 14.0 0.7 399 0 4 3 44.477 88.954 0.392 2.86 2 11.8 0.5 400 2 -4 3 44.51 89.02 0.392 2.85 2 25.1 2.4 401 -1 -5 2 44.626 89.252 0.393 2.85 2 1.7 0.0 402 -4 2 4 44.704 89.408 0.393 2.84 2 2.1 0.0 403 -4 4 3 44.718 89.436 0.393 2.84 2 60.1 13.4 404 -7 3 0 44.748 89.497 0.394 2.84 2 8.7 0.3 405 -3 -2 4 44.753 89.506 0.394 2.84 2 7.1 0.2 406 -6 -1 3 44.753 89.507 0.394 2.84 2 8.0 0.2 407 -2 -4 3 44.796 89.593 0.394 2.84 2 47.4 8.3 408 4 3 2 44.949 89.898 0.395 2.83 2 3.9 0.1 409 5 3 1 44.96 89.92 0.395 2.83 2 8.9 0.3 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 0 5.528 11.055 9.28568 15.7 1.3 1.3 5.6 2 -1 1 0 8.14 16.279 6.31738 20.7 1.7 1.8 5.6 3 0 0 1 9.137 18.274 5.63286 67.0 5.6 5.7 5.6 4 1 1 0 9.869 19.737 5.2188 85.3 7.1 7.2 5.6 5 2 0 0 11.108 22.215 4.64284 40.4 3.4 3.4 5.6 6 0 1 1 11.835 23.671 4.36109 24.5 2.1 2.1 5.6 7 -1 -1 1 12.571 25.142 4.10971 32.7 2.7 2.8 5.6 8 1 -1 1 12.874 25.749 4.01438 96.0 8.0 8.1 5.6 9 -2 0 1 13.016 26.032 3.97142 248.1 20.8 20.9 5.6 10 -2 1 1 13.966 27.932 3.70611 69.1 5.8 5.8 5.6 11 2 1 0 14.403 28.807 3.59584 108.0 9.0 9.1 5.6 12 2 -1 1 16.284 32.567 3.19001 23.8 2.0 2.0 5.6 13 -2 2 0 16.45 32.9 3.15869 51.9 4.3 4.4 5.6 14 3 0 0 16.797 33.594 3.09523 308.7 25.8 25.9 5.7 15 -1 2 1 16.84 33.681 3.08748 157.9 13.2 13.2 5.7 16 1 -2 1 17.444 34.887 2.98385 1194.3 100.0 100.0 5.7 17 -3 0 1 17.589 35.178 2.95994 72.4 6.1 6.1 5.7 18 -3 1 1 17.871 35.743 2.91468 52.5 4.4 4.4 5.7 19 -1 0 2 18.295 36.589 2.84948 115.1 9.6 9.6 5.7 20 2 1 1 18.446 36.892 2.82692 24.6 2.1 2.1 5.7 21 0 0 2 18.517 37.034 2.81643 76.4 6.4 6.4 5.7 22 1 2 1 19.75 39.5 2.64695 68.7 5.8 5.7 5.7 23 -2 0 2 19.802 39.604 2.64029 227.2 19.0 18.9 5.7 24 -3 2 0 20.025 40.049 2.61215 86.9 7.3 7.2 5.7 25 -2 1 2 20.593 41.185 2.54309 30.0 2.5 2.5 5.7 26 3 0 1 20.803 41.605 2.51854 206.4 17.3 17.2 5.7 27 -3 2 1 20.955 41.909 2.50108 40.0 3.4 3.3 5.7 28 -2 -2 1 20.987 41.974 2.49742 51.4 4.3 4.3 5.7 29 -4 1 0 22.402 44.804 2.34705 27.5 2.3 2.3 5.7 30 4 0 0 22.663 45.326 2.32142 124.4 10.4 10.3 5.7 31 0 -2 2 23.336 46.672 2.25802 138.0 11.6 11.4 5.7 32 2 0 2 23.671 47.341 2.22791 27.0 2.3 2.2 5.7 33 1 3 0 23.747 47.493 2.2212 15.1 1.3 1.2 5.7 34 -2 2 2 23.852 47.703 2.21199 86.4 7.2 7.1 5.7 35 -1 -2 2 23.883 47.766 2.20926 79.2 6.6 6.5 5.7 36 2 -1 2 23.924 47.848 2.20567 12.8 1.1 1.1 5.7 37 -3 -1 2 24.815 49.631 2.13121 16.3 1.4 1.3 5.7 38 -4 2 1 24.934 49.867 2.12174 27.2 2.3 2.2 5.7 39 -3 -2 1 24.969 49.938 2.11892 19.7 1.6 1.6 5.7 40 -2 -2 2 25.804 51.608 2.05486 16.5 1.4 1.4 5.8 41 -3 3 1 26.023 52.046 2.03874 15.6 1.3 1.3 5.8 42 2 -2 2 26.464 52.927 2.00719 47.7 4.0 3.9 5.8 43 -4 0 2 26.772 53.545 1.98571 13.2 1.1 1.1 5.8 44 3 2 1 27.881 55.762 1.91273 255.9 21.4 20.9 5.8 45 0 0 3 28.449 56.898 1.87762 19.5 1.6 1.6 5.8 46 -5 0 1 28.534 57.068 1.87252 169.3 14.2 13.8 5.8 47 -4 3 0 28.752 57.504 1.8595 13.6 1.1 1.1 5.8 48 -4 2 2 28.862 57.723 1.85306 18.2 1.5 1.5 5.8 49 -3 -2 2 28.902 57.805 1.85067 17.5 1.5 1.4 5.8 50 -4 -1 2 28.94 57.88 1.84845 18.7 1.6 1.5 5.8 51 -1 4 0 29.168 58.337 1.83525 298.2 25.0 24.3 5.8 52 2 3 1 29.672 59.345 1.80684 16.0 1.3 1.3 5.8 53 2 2 2 29.817 59.635 1.79886 69.8 5.8 5.7 5.8 54 -3 0 3 30.541 61.083 1.7602 49.2 4.1 4.0 5.8 55 2 -3 2 30.891 61.781 1.74223 28.1 2.4 2.3 5.8 56 -1 2 3 31.93 63.861 1.69121 164.6 13.8 13.3 5.9 57 -2 2 3 32.001 64.001 1.68789 41.8 3.5 3.4 5.9 58 -1 -2 3 32.034 64.069 1.68629 51.7 4.3 4.2 5.9 59 -3 4 1 32.452 64.905 1.66691 14.2 1.2 1.1 5.9 60 -5 2 2 32.933 65.867 1.64524 90.7 7.6 7.3 5.9 61 -4 -2 2 32.977 65.955 1.6433 82.9 6.9 6.7 5.9 62 2 0 3 33.14 66.28 1.63615 30.1 2.5 2.4 5.9 63 -4 0 3 33.571 67.141 1.61757 14.7 1.2 1.2 5.9 64 4 -2 2 34.11 68.221 1.59501 141.7 11.9 11.4 5.9 65 -4 4 0 34.496 68.992 1.57934 31.4 2.6 2.5 5.9 66 2 4 0 34.532 69.065 1.57789 45.6 3.8 3.7 5.9 67 1 2 3 35.256 70.512 1.54958 37.6 3.1 3.0 5.9 68 -2 4 2 35.409 70.818 1.54374 12.8 1.1 1.0 5.9 69 0 -4 2 35.452 70.904 1.54211 14.8 1.2 1.2 5.9 70 -4 2 3 35.59 71.18 1.53693 16.5 1.4 1.3 5.9 71 -6 2 0 35.656 71.313 1.53444 51.4 4.3 4.1 5.9 72 5 2 0 35.689 71.378 1.53322 39.1 3.3 3.1 5.9 73 -3 4 2 36.382 72.765 1.50793 19.9 1.7 1.6 6.0 74 -1 -4 2 36.437 72.873 1.50599 27.8 2.3 2.2 6.0 75 0 4 2 36.818 73.635 1.49258 16.1 1.3 1.3 6.0 76 3 0 3 37.029 74.058 1.48527 27.2 2.3 2.2 6.0 77 4 -4 1 37.079 74.157 1.48357 78.7 6.6 6.2 6.0 78 -5 4 0 38.387 76.774 1.44042 18.0 1.5 1.4 6.0 79 3 4 0 38.434 76.867 1.43895 12.3 1.0 1.0 6.0 80 2 2 3 38.514 77.028 1.43641 14.6 1.2 1.2 6.0 81 -2 0 4 38.888 77.777 1.42474 65.1 5.5 5.1 6.0 82 3 -4 2 39.16 78.321 1.41642 16.7 1.4 1.3 6.0 83 5 -2 2 39.247 78.495 1.41379 21.7 1.8 1.7 6.0 84 0 0 4 39.433 78.866 1.40822 68.5 5.7 5.4 6.0 85 -3 0 4 40.241 80.483 1.3846 29.1 2.4 2.3 6.0 86 4 0 3 41.844 83.688 1.34081 22.1 1.8 1.7 6.1 87 0 -4 3 42.523 85.047 1.32338 38.2 3.2 3.0 6.1 88 -6 4 1 42.998 85.996 1.31157 52.4 4.4 4.1 6.1 89 -4 -4 1 43.07 86.139 1.30982 50.0 4.2 3.9 6.1 90 -7 2 2 43.647 87.294 1.29591 19.1 1.6 1.5 6.2 91 -6 -2 2 43.699 87.397 1.29469 19.8 1.7 1.5 6.2 92 -4 4 3 44.718 89.436 1.27122 13.7 1.1 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) |