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 2, f-lamprophyllite, g-gotzenite Ca(2)(Ca,Na)(2)Ca(2)NaTi[Si(2)O(7)](2)F(2)F(2) Triclinic P 1(-) Z = 1 R =0.04 NR =3005 31 .1 .1905 Ref.Str.: C.C. Christiansen, O. Johnsen, E. Makovisky (2003) * Canad. Mineral., 41, 1203-1224 Reserv: There are U(iso) in the article. The mineral from the localites of Werner Bjerger, East Greenland. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.6162 alpha = 89.92 b = 5.7249 beta = 101.13 c = 7.3307 gamma = 100.64 Unit cell volume (cub. angs.) = 388.92 Molar volume ( cub.cm/mol.) = 234.26 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.6309 0.2264 0.9095 0.0 Ca = 0.8 , La = 0.12, Zr = 0.08 2 0.9934 0.4966 0.2416 0.0 Ca = 0.61, Na = 0.39 3 0.6329 0.2274 0.4074 0.0 Ca = 0.94, La = 0.06 4 0.0 0.0 0.5 0.0 Na = 0.81, Ca = 0.19 5 0.0 0.0 0.0 0.0 Ti = 0.92, Fe = 0.05, Nb = 0.03 6 0.7169 0.7504 0.6519 0.0 Si = 1.00 7 0.7243 0.7551 0.2148 0.0 Si = 1.00 8 0.7583 0.786 0.444 0.0 O = 1.00 9 0.6152 0.9402 0.6688 0.0 O = 1.00 10 0.6188 0.9363 0.1415 0.0 O = 1.00 11 0.6436 0.4773 0.667 0.0 O = 1.00 12 0.666 0.479 0.1607 0.0 O = 1.00 13 0.8757 0.8129 0.7855 0.0 O = 1.00 14 0.8856 0.8355 0.1717 0.0 O = 1.00 15 0.8852 0.2592 0.9675 0.0 F = 1.00 16 0.8856 0.3062 0.4759 0.0 F = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.6309 0.2264 0.9095 2 2 0.9934 0.4966 0.2416 3 3 0.6329 0.2274 0.4074 4 4 0.0 0.0 0.5 5 5 0.0 0.0 0.0 6 6 0.7169 0.7504 0.6519 7 7 0.7243 0.7551 0.2148 8 8 0.7583 0.786 0.444 9 9 0.6152 0.9402 0.6688 10 10 0.6188 0.9363 0.1415 11 11 0.6436 0.4773 0.667 12 12 0.666 0.479 0.1607 13 13 0.8757 0.8129 0.7855 14 14 0.8856 0.8355 0.1717 15 15 0.8852 0.2592 0.9675 16 16 0.8856 0.3062 0.4759 17 1 0.3691 0.7736 0.0905 18 2 0.0066 0.5034 0.7584 19 3 0.3671 0.7726 0.5926 20 6 0.2831 0.2496 0.3481 21 7 0.2757 0.2449 0.7852 22 8 0.2417 0.214 0.556 23 9 0.3848 0.0598 0.3312 24 10 0.3812 0.0637 0.8585 25 11 0.3564 0.5227 0.333 26 12 0.334 0.521 0.8393 27 13 0.1243 0.1871 0.2145 28 14 0.1144 0.1645 0.8283 29 15 0.1148 0.7408 0.0325 30 16 0.1144 0.6938 0.5241 X-ray density (g/cm cub.) = 3.24 MU (1/cm) = 466.052 Mass attenuation coefficient (cm**2/g) = 143.84 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ca ,La ,Zr 2.88 6 2.3737 9 2.3794 10 2.2914 11 2.2767 12 2.3718 15 2.3667 10 2 Ca ,Na 2.88 6 2.3741 14 2.376 15 2.3405 16 2.3842 13 2.3978 15 2.3469 16 3 Ca ,La 2.88 6 2.5334 9 2.5335 10 2.3572 11 2.3436 12 2.3421 16 2.3593 9 4 Na ,Ca 2.88 8 2.3776 8 2.7283 13 2.5477 14 2.225 16 2.3776 8 2.7283 13 2.5477 14 2.225 16 5 Ti ,Fe ,Nb 2.592 6 1.9633 13 1.9571 14 1.9949 15 1.9633 13 1.9571 14 1.9949 15 6 Si 2.1 4 1.6511 8 1.61 9 1.6051 11 1.6251 13 7 Si 2.1 4 1.6518 8 1.6033 10 1.5996 12 1.6257 14 8 O 3.264 8 2.5917 9 2.5942 10 2.6421 11 2.6291 12 2.532 13 2.5253 14 2.9946 16 3.198 16 9 O 3.264 6 2.5917 8 3.0365 11 2.7141 11 2.7172 13 3.1529 9 3.0489 10 10 O 3.264 6 2.5942 8 3.0552 12 2.7373 12 2.7002 14 3.0489 9 2.9727 10 11 O 3.264 5 2.6421 8 2.7141 9 3.0365 9 2.6646 13 3.2314 16 12 O 3.264 6 2.6291 8 2.7373 10 3.0552 10 2.6409 14 3.189 15 3.1077 16 13 O 3.264 7 2.532 8 2.7172 9 2.6646 11 2.8166 14 2.8623 15 2.727 14 2.7343 15 14 O 3.264 8 2.5253 8 2.7002 10 2.6409 12 2.8166 13 2.8488 15 2.727 13 2.7394 15 3.2605 16 15 F 3.228 6 3.189 12 2.8623 13 2.8488 14 2.7343 13 2.7394 14 3.1707 15 16 F 3.228 4 3.198 8 2.9946 8 3.1077 12 2.7908 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 5.539 11.077 0.054 211.71 2 2.7 2.0 2 0 0 1 7.148 14.296 0.07 126.21 2 7.1 8.4 3 -1 0 1 8.148 16.296 0.079 96.62 2 8.3 8.7 4 0 1 0 9.153 18.306 0.089 76.11 2 23.9 57.4 5 -1 1 0 9.779 19.559 0.095 66.4 2 4.4 1.7 6 1 0 1 9.892 19.784 0.096 64.85 2 19.6 32.9 7 2 0 0 11.13 22.26 0.108 50.78 2 7.7 4.0 8 0 -1 1 11.446 22.892 0.111 47.9 2 6.0 2.3 9 1 1 0 11.594 23.188 0.112 46.63 2 4.8 1.4 10 -1 1 1 11.686 23.373 0.113 45.86 2 9.7 5.6 11 0 1 1 11.854 23.707 0.115 44.52 2 26.1 40.2 12 -2 0 1 12.013 24.027 0.116 43.29 2 22.4 28.7 13 1 -1 1 12.607 25.214 0.122 39.11 2 6.4 2.1 14 -1 -1 1 12.889 25.777 0.125 37.34 2 34.2 57.8 15 -2 1 0 13.056 26.111 0.126 36.34 2 62.0 184.8 16 -2 1 1 13.996 27.992 0.135 31.36 2 21.5 19.2 17 -1 0 2 14.398 28.795 0.139 29.52 2 8.0 2.5 18 0 0 2 14.411 28.821 0.139 29.47 2 5.3 1.1 19 1 1 1 14.417 28.835 0.139 29.44 2 25.3 25.0 20 2 0 1 14.439 28.877 0.139 29.34 2 35.1 47.8 21 2 1 0 15.797 31.593 0.152 24.2 2 39.7 50.6 22 2 -1 1 15.843 31.686 0.153 24.05 2 31.8 32.1 23 -2 -1 1 16.298 32.597 0.157 22.62 2 6.1 1.1 24 -2 0 2 16.467 32.933 0.158 22.12 2 11.6 3.9 25 1 0 2 16.501 33.002 0.159 22.02 2 6.8 1.3 26 3 0 0 16.831 33.663 0.162 21.09 2 140.5 550.3 27 -1 1 2 16.866 33.731 0.162 21.0 2 65.0 117.5 28 0 -1 2 16.892 33.783 0.162 20.93 2 59.7 98.6 29 -3 0 1 16.97 33.94 0.163 20.72 2 21.1 12.2 30 0 1 2 17.463 34.926 0.168 19.47 2 156.5 630.3 31 -1 -1 2 17.466 34.933 0.168 19.46 2 163.2 685.6 32 -3 1 0 17.641 35.282 0.169 19.04 2 94.0 222.6 33 -3 1 1 17.912 35.824 0.172 18.41 2 25.5 15.8 34 -2 1 2 18.139 36.279 0.174 17.91 2 11.2 2.9 35 1 -1 2 18.185 36.37 0.174 17.81 2 8.9 1.9 36 -1 2 0 18.339 36.677 0.176 17.49 2 80.3 149.0 37 2 1 1 18.475 36.95 0.177 17.2 2 10.3 2.4 38 0 2 0 18.551 37.102 0.178 17.05 2 68.7 106.2 39 -1 2 1 19.605 39.209 0.188 15.09 2 4.1 0.3 40 3 0 1 19.685 39.369 0.188 14.95 2 6.0 0.7 41 0 -2 1 19.723 39.446 0.189 14.89 2 7.8 1.2 42 -2 -1 2 19.767 39.534 0.189 14.82 2 49.5 48.1 43 1 1 2 19.784 39.568 0.189 14.79 2 50.2 49.3 44 -2 2 0 19.859 39.718 0.19 14.66 2 121.3 285.4 45 1 -2 1 19.946 39.893 0.191 14.52 2 2.9 0.2 46 -3 0 2 20.047 40.093 0.192 14.36 2 31.1 18.3 47 2 0 2 20.095 40.191 0.192 14.28 2 29.6 16.5 48 0 2 1 20.225 40.45 0.193 14.08 2 20.3 7.7 49 3 -1 1 20.273 40.545 0.194 14.01 2 16.7 5.2 50 1 2 0 20.45 40.9 0.195 13.74 2 25.3 11.7 51 -2 2 1 20.642 41.284 0.197 13.45 2 16.3 4.7 52 -3 -1 1 20.825 41.651 0.199 13.19 2 15.1 4.0 53 3 1 0 20.831 41.661 0.199 13.18 2 85.2 126.5 54 -3 1 2 20.99 41.98 0.2 12.96 2 78.4 105.3 55 2 -1 2 21.049 42.098 0.201 12.88 2 74.8 95.3 56 -1 -2 1 21.137 42.274 0.202 12.76 2 8.5 1.2 57 -1 0 3 21.518 43.035 0.205 12.26 2 8.5 1.2 58 2 -2 1 21.765 43.531 0.207 11.95 2 4.0 0.3 59 0 0 3 21.919 43.839 0.209 11.76 2 12.5 2.4 60 1 2 1 22.389 44.778 0.213 11.21 2 12.7 2.4 61 -4 0 1 22.438 44.877 0.213 11.16 2 28.4 11.9 62 -2 0 3 22.653 45.306 0.215 10.92 2 7.0 0.7 63 4 0 0 22.71 45.421 0.216 10.86 2 63.5 57.9 64 -4 1 1 22.732 45.464 0.216 10.83 2 0.4 0.0 65 -3 2 0 22.822 45.644 0.217 10.74 2 44.2 27.7 66 -4 1 0 22.889 45.778 0.217 10.67 2 9.3 1.2 67 -3 2 1 23.153 46.307 0.22 10.39 2 7.9 0.8 68 -1 2 2 23.353 46.706 0.222 10.19 2 72.3 70.4 69 -3 -1 2 23.367 46.733 0.222 10.18 2 29.4 11.7 70 3 1 1 23.381 46.762 0.222 10.16 2 11.8 1.9 71 0 -2 2 23.384 46.768 0.222 10.16 2 70.6 67.0 72 2 1 2 23.398 46.797 0.222 10.15 2 33.1 14.7 73 -1 1 3 23.444 46.888 0.222 10.1 2 1.7 0.0 74 0 -1 3 23.612 47.225 0.224 9.94 2 0.9 0.0 75 -1 -1 3 23.686 47.373 0.225 9.87 2 7.0 0.6 76 2 2 0 23.7 47.4 0.225 9.86 2 61.9 49.9 77 1 0 3 23.797 47.594 0.226 9.77 2 21.5 6.0 78 -2 2 2 23.898 47.796 0.226 9.67 2 77.0 75.8 79 1 -2 2 23.945 47.891 0.227 9.63 2 82.2 86.0 80 -2 -2 1 23.951 47.903 0.227 9.62 2 11.5 1.7 81 -2 1 3 24.069 48.138 0.228 9.52 2 1.4 0.0 82 0 2 2 24.257 48.514 0.23 9.35 2 0.6 0.0 83 0 1 3 24.264 48.529 0.23 9.34 2 12.0 1.8 84 -1 -2 2 24.27 48.541 0.23 9.34 2 1.7 0.0 85 -4 0 2 24.6 49.2 0.233 9.06 2 44.5 23.7 86 3 0 2 24.658 49.315 0.233 9.01 2 40.7 19.7 87 3 -2 1 24.898 49.797 0.235 8.81 2 22.4 5.8 88 1 -1 3 24.964 49.928 0.236 8.76 2 1.0 0.0 89 -4 1 2 24.979 49.958 0.236 8.75 2 20.5 4.9 90 3 -1 2 25.047 50.094 0.237 8.69 2 23.0 6.1 91 -3 0 3 25.163 50.325 0.238 8.6 2 11.0 1.4 92 -2 -1 3 25.176 50.352 0.238 8.59 2 15.1 2.6 93 4 0 1 25.356 50.712 0.239 8.45 2 7.8 0.7 94 4 -1 1 25.416 50.833 0.24 8.41 2 18.4 3.8 95 2 2 1 25.789 51.579 0.243 8.13 2 5.6 0.3 96 -3 2 2 25.822 51.644 0.243 8.11 2 68.3 50.0 97 2 -2 2 25.883 51.766 0.244 8.07 2 65.7 46.1 98 -4 -1 1 26.036 52.072 0.245 7.96 2 4.0 0.2 99 -3 1 3 26.06 52.121 0.246 7.94 2 11.9 1.5 100 4 1 0 26.381 52.762 0.248 7.72 2 16.4 2.7 101 1 1 3 26.429 52.858 0.249 7.69 2 23.9 5.8 102 -2 -2 2 26.495 52.989 0.249 7.65 2 44.9 20.4 103 1 2 2 26.498 52.995 0.249 7.65 2 54.1 29.6 104 -4 2 1 26.819 53.639 0.252 7.44 2 27.1 7.2 105 -4 2 0 26.859 53.717 0.253 7.41 2 78.5 60.4 106 2 0 3 26.914 53.828 0.253 7.38 2 14.9 2.2 107 2 -1 3 27.586 55.171 0.259 6.98 2 17.2 2.7 108 -3 -2 1 27.848 55.696 0.261 6.83 2 0.7 0.0 109 -4 -1 2 27.893 55.786 0.262 6.8 2 150.0 202.5 110 -3 -1 3 27.915 55.83 0.262 6.79 2 29.4 7.8 111 3 1 2 27.936 55.872 0.262 6.78 2 153.1 210.2 112 3 2 0 27.95 55.9 0.262 6.77 2 7.9 0.6 113 -1 3 0 27.955 55.909 0.262 6.77 2 35.3 11.2 114 -5 1 1 28.157 56.314 0.264 6.66 2 0.6 0.0 115 -5 0 1 28.304 56.608 0.265 6.58 2 9.7 0.8 116 0 3 0 28.504 57.008 0.267 6.48 2 47.4 19.2 117 -5 1 0 28.614 57.228 0.268 6.42 2 102.3 88.9 118 -2 3 0 28.684 57.369 0.268 6.39 2 23.0 4.5 119 -4 0 3 28.784 57.569 0.269 6.34 2 28.5 6.8 120 0 -2 3 28.803 57.606 0.269 6.33 2 5.4 0.2 121 -1 2 3 28.838 57.677 0.27 6.31 2 21.0 3.7 122 5 0 0 28.855 57.71 0.27 6.3 2 30.9 7.9 123 4 1 1 28.874 57.748 0.27 6.29 2 4.4 0.2 124 -4 2 2 28.928 57.856 0.27 6.27 2 20.1 3.3 125 -1 3 1 28.98 57.959 0.271 6.24 2 21.2 3.7 126 -2 2 3 28.992 57.984 0.271 6.23 2 6.9 0.4 127 3 -2 2 28.999 57.998 0.271 6.23 2 17.7 2.6 128 4 -2 1 29.04 58.08 0.271 6.21 2 36.0 10.6 129 1 -3 1 29.046 58.092 0.271 6.21 2 11.7 1.1 130 -1 0 4 29.213 58.427 0.273 6.13 2 197.1 314.6 131 -4 1 3 29.22 58.44 0.273 6.13 2 3.0 0.1 132 -1 -2 3 29.257 58.513 0.273 6.11 2 6.3 0.3 133 0 -3 1 29.267 58.534 0.273 6.1 2 0.7 0.0 134 -2 3 1 29.378 58.757 0.274 6.05 2 1.9 0.0 135 1 -2 3 29.604 59.209 0.276 5.95 2 9.6 0.7 136 2 1 3 29.732 59.463 0.277 5.89 2 35.8 10.0 137 -5 1 2 29.8 59.599 0.278 5.86 2 71.6 39.7 138 -2 0 4 29.821 59.643 0.278 5.85 2 11.8 1.1 139 0 3 1 29.831 59.661 0.278 5.85 2 13.0 1.3 140 -5 0 2 29.848 59.696 0.278 5.84 2 14.3 1.6 141 -3 -2 2 29.848 59.697 0.278 5.84 2 87.7 59.3 142 0 0 4 29.85 59.701 0.278 5.84 2 2.8 0.1 143 2 2 2 29.866 59.731 0.278 5.83 2 83.8 54.2 144 4 -1 2 29.874 59.748 0.278 5.83 2 70.3 38.1 145 4 0 2 29.913 59.826 0.279 5.81 2 11.5 1.0 146 0 2 3 29.935 59.869 0.279 5.8 2 21.8 3.7 147 2 -3 1 30.071 60.142 0.28 5.74 2 9.4 0.7 148 3 2 1 30.14 60.279 0.281 5.71 2 20.8 3.3 149 1 3 0 30.288 60.576 0.282 5.65 2 5.3 0.2 150 -3 2 3 30.384 60.768 0.283 5.61 2 13.4 1.3 151 -3 3 0 30.635 61.27 0.285 5.51 2 65.7 31.4 152 -1 -3 1 30.717 61.434 0.286 5.48 2 20.6 3.1 153 -1 1 4 30.877 61.754 0.287 5.41 2 11.1 0.9 154 -1 -1 4 30.895 61.791 0.287 5.41 2 5.4 0.2 155 -2 -2 3 30.931 61.862 0.287 5.39 2 46.8 15.6 156 -3 3 1 30.997 61.995 0.288 5.37 2 0.2 0.0 157 3 0 3 31.022 62.045 0.288 5.36 2 24.1 4.1 158 -2 1 4 31.093 62.186 0.289 5.33 2 29.3 6.0 159 5 -1 1 31.112 62.224 0.289 5.32 2 10.9 0.8 160 0 -1 4 31.14 62.279 0.289 5.31 2 30.7 6.6 161 3 -1 3 31.267 62.534 0.29 5.27 2 16.5 1.9 162 -5 2 1 31.381 62.762 0.291 5.22 2 2.5 0.0 163 5 0 1 31.432 62.863 0.292 5.21 2 24.3 4.1 164 2 -2 3 31.602 63.204 0.293 5.14 2 26.2 4.7 165 -3 0 4 31.63 63.261 0.293 5.13 2 5.2 0.2 166 1 0 4 31.686 63.373 0.294 5.11 2 3.8 0.1 167 -4 -1 3 31.694 63.387 0.294 5.11 2 29.2 5.8 168 -5 2 0 31.719 63.438 0.294 5.1 2 64.6 28.2 169 -5 -1 1 31.792 63.585 0.295 5.08 2 13.9 1.3 170 -2 -1 4 31.854 63.707 0.295 5.06 2 13.2 1.2 171 0 1 4 31.863 63.727 0.295 5.05 2 16.2 1.8 172 1 3 1 31.87 63.74 0.295 5.05 2 22.5 3.4 173 -1 3 2 31.993 63.985 0.296 5.01 2 123.1 100.3 174 0 -3 2 32.027 64.054 0.296 5.0 2 118.5 92.8 175 -2 3 2 32.07 64.14 0.297 4.98 2 80.2 42.4 176 1 -3 2 32.118 64.236 0.297 4.97 2 83.2 45.5 177 1 2 3 32.203 64.406 0.298 4.94 2 36.0 8.4 178 3 -3 1 32.27 64.54 0.298 4.92 2 14.4 1.4 179 5 1 0 32.396 64.792 0.299 4.87 2 55.9 20.1 180 -3 1 4 32.498 64.996 0.3 4.84 2 32.7 6.8 181 1 -1 4 32.571 65.142 0.301 4.82 2 37.6 9.0 182 -4 -2 1 32.598 65.197 0.301 4.81 2 19.0 2.3 183 -4 2 3 32.92 65.84 0.304 4.71 2 29.3 5.3 184 4 2 0 32.987 65.974 0.304 4.69 2 67.2 28.0 185 -5 2 2 33.014 66.028 0.305 4.68 2 79.3 38.9 186 0 3 2 33.093 66.186 0.305 4.66 2 9.2 0.5 187 4 -2 2 33.093 66.187 0.305 4.66 2 81.6 41.0 188 -1 -3 2 33.113 66.226 0.305 4.65 2 15.7 1.5 189 -5 -1 2 33.151 66.302 0.306 4.64 2 2.4 0.0 190 2 3 0 33.187 66.374 0.306 4.63 2 55.7 19.0 191 4 1 2 33.204 66.407 0.306 4.62 2 3.2 0.1 192 -2 -3 1 33.302 66.604 0.307 4.59 2 1.4 0.0 193 -5 0 3 33.309 66.617 0.307 4.59 2 24.5 3.6 194 -3 3 2 33.321 66.641 0.307 4.59 2 17.2 1.8 195 -5 1 3 33.351 66.702 0.307 4.58 2 24.1 3.5 196 2 -3 2 33.381 66.763 0.308 4.57 2 13.2 1.1 197 -4 3 0 33.682 67.364 0.31 4.49 2 14.4 1.2 198 -3 -2 3 33.72 67.44 0.31 4.48 2 9.9 0.6 199 -4 3 1 33.735 67.469 0.31 4.47 2 26.1 4.0 200 -3 -1 4 33.958 67.916 0.312 4.41 2 17.6 1.8 201 3 1 3 33.984 67.969 0.312 4.4 2 15.4 1.4 202 1 1 4 33.994 67.989 0.313 4.4 2 27.3 4.3 203 5 -2 1 33.997 67.994 0.313 4.4 2 4.6 0.1 204 -6 1 1 34.122 68.244 0.314 4.37 2 10.8 0.7 205 -4 -2 2 34.144 68.289 0.314 4.36 2 83.9 40.6 206 3 2 2 34.174 68.348 0.314 4.35 2 82.9 39.5 207 -4 0 4 34.535 69.071 0.317 4.26 2 110.3 68.6 208 -6 0 1 34.608 69.216 0.317 4.24 2 16.4 1.5 209 2 0 4 34.616 69.232 0.318 4.24 2 104.8 61.6 210 3 -2 3 34.681 69.362 0.318 4.22 2 18.6 1.9 211 -6 1 0 34.821 69.642 0.319 4.19 2 86.5 41.4 212 5 1 1 34.909 69.818 0.32 4.17 2 11.2 0.7 213 2 3 1 34.985 69.971 0.321 4.15 2 5.9 0.2 214 -4 1 4 35.016 70.031 0.321 4.14 2 68.4 25.6 215 2 -1 4 35.113 70.226 0.322 4.12 2 66.1 23.8 216 4 2 1 35.279 70.558 0.323 4.08 2 33.4 6.0 217 1 3 2 35.315 70.63 0.323 4.07 2 53.2 15.2 218 -6 1 2 35.32 70.641 0.323 4.07 2 74.0 29.5 219 -2 -3 2 35.321 70.642 0.323 4.07 2 50.9 13.9 220 6 0 0 35.388 70.776 0.324 4.05 2 29.4 4.6 221 5 -1 2 35.402 70.804 0.324 4.05 2 73.6 29.0 222 -2 2 4 35.469 70.937 0.324 4.04 2 62.8 21.0 223 2 2 3 35.525 71.05 0.325 4.02 2 1.2 0.0 224 4 -3 1 35.528 71.055 0.325 4.02 2 25.2 3.4 225 0 -2 4 35.53 71.059 0.325 4.02 2 54.9 16.1 226 -1 2 4 35.616 71.233 0.326 4.0 2 36.8 7.2 227 -1 -2 4 35.651 71.302 0.326 3.99 2 37.7 7.5 228 -4 3 2 35.683 71.365 0.326 3.99 2 85.7 38.7 229 -6 0 2 35.714 71.428 0.326 3.98 2 52.7 14.6 230 3 -3 2 35.755 71.509 0.327 3.97 2 86.8 39.6 231 5 0 2 35.787 71.574 0.327 3.97 2 54.5 15.6 232 4 -1 3 35.848 71.695 0.327 3.95 2 37.8 7.5 233 4 0 3 35.968 71.936 0.328 3.93 2 4.4 0.1 234 -5 -1 3 36.361 72.722 0.331 3.84 2 16.2 1.3 235 -3 2 4 36.444 72.889 0.332 3.83 2 75.7 29.0 236 -5 2 3 36.483 72.965 0.332 3.82 2 18.8 1.8 237 -2 3 3 36.519 73.037 0.333 3.81 2 7.3 0.3 238 1 -2 4 36.531 73.062 0.333 3.81 2 74.9 28.2 239 0 -3 3 36.537 73.074 0.333 3.81 2 12.6 0.8 240 -6 2 1 36.713 73.426 0.334 3.77 2 0.1 0.0 241 -1 3 3 36.728 73.456 0.334 3.77 2 10.7 0.6 242 0 2 4 36.883 73.765 0.335 3.74 2 37.8 7.1 243 -2 -2 4 36.891 73.781 0.336 3.74 2 48.3 11.5 244 1 -3 3 36.904 73.809 0.336 3.74 2 17.2 1.5 245 -3 -3 1 36.908 73.815 0.336 3.74 2 10.0 0.5 246 3 3 0 37.079 74.158 0.337 3.71 2 103.7 52.7 247 -4 -1 4 37.117 74.235 0.337 3.7 2 76.7 28.8 248 2 1 4 37.178 74.357 0.338 3.69 2 69.2 23.3 249 -1 -3 3 37.282 74.564 0.339 3.67 2 17.4 1.5 250 -6 2 0 37.308 74.616 0.339 3.66 2 38.9 7.3 251 6 -1 1 37.371 74.741 0.339 3.65 2 7.6 0.3 252 -3 3 3 37.421 74.842 0.34 3.64 2 14.6 1.0 253 -5 3 1 37.479 74.958 0.34 3.63 2 23.9 2.7 254 -4 -2 3 37.512 75.024 0.34 3.63 2 1.3 0.0 255 -1 0 5 37.634 75.268 0.341 3.61 2 5.0 0.1 256 -5 3 0 37.708 75.415 0.342 3.59 2 72.1 24.7 257 -2 0 5 37.893 75.787 0.343 3.56 2 8.1 0.3 258 -6 2 2 37.96 75.92 0.344 3.55 2 86.2 34.9 259 6 0 1 38.005 76.011 0.344 3.54 2 12.3 0.7 260 0 3 3 38.042 76.084 0.344 3.54 2 23.2 2.5 261 5 -2 2 38.048 76.096 0.345 3.54 2 86.8 35.2 262 -5 -2 1 38.111 76.222 0.345 3.53 2 11.5 0.6 263 -6 -1 1 38.121 76.243 0.345 3.52 2 17.7 1.5 264 -6 1 3 38.34 76.68 0.347 3.49 2 7.7 0.3 265 2 -3 3 38.372 76.745 0.347 3.48 2 16.7 1.3 266 -5 0 4 38.433 76.866 0.347 3.47 2 31.4 4.5 267 0 0 5 38.475 76.95 0.348 3.47 2 21.5 2.1 268 -4 2 4 38.511 77.022 0.348 3.46 2 11.6 0.6 269 3 0 4 38.536 77.072 0.348 3.46 2 37.5 6.4 270 -5 1 4 38.556 77.111 0.348 3.46 2 1.4 0.0 271 -3 -3 2 38.571 77.141 0.349 3.45 2 52.7 12.7 272 2 3 2 38.578 77.155 0.349 3.45 2 51.2 11.9 273 2 -2 4 38.621 77.243 0.349 3.45 2 16.7 1.3 274 -6 0 3 38.64 77.279 0.349 3.44 2 1.5 0.0 275 3 -1 4 38.675 77.35 0.349 3.44 2 8.5 0.3 276 -1 4 0 38.711 77.421 0.35 3.43 2 12.8 0.7 277 4 -2 3 38.738 77.476 0.35 3.43 2 8.8 0.3 278 5 2 0 38.752 77.503 0.35 3.43 2 59.2 15.8 279 6 1 0 38.956 77.912 0.351 3.4 2 56.3 14.2 280 -2 4 0 38.996 77.992 0.352 3.39 2 76.0 25.9 281 -1 -1 5 39.049 78.099 0.352 3.38 2 1.3 0.0 282 -5 3 2 39.076 78.152 0.352 3.38 2 10.0 0.4 283 3 3 1 39.076 78.153 0.352 3.38 2 9.6 0.4 284 4 1 3 39.089 78.178 0.352 3.38 2 10.4 0.5 285 -6 -1 2 39.107 78.213 0.353 3.37 2 29.1 3.8 286 -2 1 5 39.116 78.233 0.353 3.37 2 18.1 1.5 287 -2 -3 3 39.117 78.234 0.353 3.37 2 11.0 0.5 288 4 -3 2 39.159 78.317 0.353 3.37 2 10.1 0.5 289 5 1 2 39.168 78.337 0.353 3.37 2 30.5 4.1 290 -1 1 5 39.197 78.395 0.353 3.36 2 24.9 2.8 291 -3 -2 4 39.209 78.418 0.353 3.36 2 54.3 13.1 292 1 2 4 39.227 78.453 0.354 3.36 2 47.2 9.9 293 -3 0 5 39.246 78.492 0.354 3.35 2 33.6 5.0 294 -5 -2 2 39.29 78.579 0.354 3.35 2 21.2 2.0 295 4 2 2 39.33 78.661 0.354 3.34 2 22.5 2.2 296 -4 3 3 39.408 78.816 0.355 3.33 2 14.6 0.9 297 0 4 0 39.516 79.032 0.356 3.32 2 134.0 78.7 298 0 -1 5 39.545 79.09 0.356 3.31 2 22.1 2.1 299 1 -4 1 39.563 79.126 0.356 3.31 2 14.0 0.9 300 -2 -1 5 39.643 79.286 0.357 3.3 2 29.9 3.9 301 -1 4 1 39.67 79.34 0.357 3.3 2 22.3 2.2 302 -2 4 1 39.679 79.358 0.357 3.3 2 16.9 1.2 303 6 -2 1 39.716 79.432 0.357 3.29 2 2.5 0.0 304 5 -3 1 39.752 79.504 0.357 3.29 2 11.4 0.6 305 3 2 3 39.808 79.617 0.358 3.28 2 6.0 0.2 306 0 -4 1 40.09 80.18 0.36 3.24 2 9.6 0.4 307 2 -4 1 40.121 80.242 0.36 3.24 2 11.1 0.5 308 -3 1 5 40.122 80.245 0.36 3.24 2 19.6 1.7 309 0 1 5 40.364 80.727 0.362 3.21 2 28.3 3.4 310 -3 4 0 40.366 80.733 0.362 3.21 2 113.6 54.8 311 1 0 5 40.395 80.79 0.362 3.21 2 41.2 7.2 312 1 3 3 40.427 80.853 0.362 3.2 2 5.7 0.1 313 -7 1 1 40.704 81.407 0.365 3.17 2 13.9 0.8 314 0 4 1 40.743 81.487 0.365 3.17 2 1.4 0.0 315 -3 4 1 40.771 81.541 0.365 3.16 2 11.3 0.5 316 3 -3 3 40.904 81.809 0.366 3.15 2 5.1 0.1 317 -6 2 3 40.995 81.989 0.367 3.14 2 14.9 0.9 318 1 -1 5 41.119 82.238 0.368 3.13 2 38.8 6.2 319 5 2 1 41.188 82.377 0.368 3.12 2 5.2 0.1 320 -5 -1 4 41.26 82.52 0.369 3.11 2 5.2 0.1 321 5 -1 3 41.275 82.551 0.369 3.11 2 1.5 0.0 322 -3 -1 5 41.313 82.626 0.369 3.11 2 7.9 0.3 323 3 1 4 41.345 82.689 0.369 3.1 2 1.4 0.0 324 1 4 0 41.396 82.792 0.37 3.1 2 15.0 0.9 325 -4 -3 1 41.464 82.928 0.37 3.09 2 27.9 3.2 326 -7 0 1 41.495 82.989 0.37 3.09 2 3.1 0.0 327 -7 1 2 41.564 83.127 0.371 3.08 2 54.8 12.2 328 6 1 1 41.58 83.161 0.371 3.08 2 3.3 0.0 329 -5 2 4 41.621 83.242 0.371 3.07 2 60.9 15.1 330 -7 1 0 41.634 83.269 0.371 3.07 2 12.2 0.6 331 6 -1 2 41.654 83.307 0.372 3.07 2 55.9 12.7 332 -4 0 5 41.663 83.327 0.372 3.07 2 13.2 0.7 333 -1 -4 1 41.693 83.386 0.372 3.07 2 4.3 0.1 334 5 0 3 41.723 83.447 0.372 3.06 2 1.2 0.0 335 3 -4 1 41.754 83.509 0.372 3.06 2 5.3 0.1 336 3 -2 4 41.755 83.509 0.372 3.06 2 59.0 14.1 337 -6 -1 3 41.877 83.754 0.373 3.05 2 2.0 0.0 338 4 3 0 41.902 83.803 0.373 3.05 2 39.6 6.3 339 -3 -3 3 42.003 84.006 0.374 3.04 2 15.8 1.0 340 -2 4 2 42.149 84.297 0.375 3.02 2 5.0 0.1 341 -6 3 1 42.17 84.34 0.375 3.02 2 8.2 0.3 342 -4 1 5 42.197 84.394 0.375 3.02 2 33.4 4.5 343 1 -4 2 42.2 84.401 0.375 3.02 2 9.8 0.4 344 -5 -2 3 42.248 84.495 0.376 3.02 2 8.1 0.3 345 -7 0 2 42.271 84.541 0.376 3.01 2 47.5 9.0 346 6 0 2 42.352 84.705 0.377 3.01 2 41.7 6.9 347 -1 4 2 42.411 84.822 0.377 3.0 2 19.3 1.5 348 -5 3 3 42.442 84.885 0.377 3.0 2 9.5 0.4 349 0 -4 2 42.45 84.9 0.377 3.0 2 13.7 0.7 350 7 0 0 42.503 85.006 0.378 2.99 2 11.3 0.5 351 -2 3 4 42.551 85.102 0.378 2.99 2 43.0 7.3 352 -4 -2 4 42.563 85.126 0.378 2.99 2 7.2 0.2 353 1 1 5 42.595 85.191 0.378 2.99 2 25.8 2.6 354 2 2 4 42.605 85.211 0.378 2.99 2 10.0 0.4 355 0 -3 4 42.625 85.25 0.379 2.98 2 46.1 8.4 356 -6 3 0 42.663 85.326 0.379 2.98 2 59.5 14.0 357 -4 4 0 42.798 85.597 0.38 2.97 2 7.4 0.2 358 -4 -3 2 42.81 85.621 0.38 2.97 2 16.3 1.0 359 3 3 2 42.83 85.66 0.38 2.97 2 19.5 1.5 360 -7 2 1 42.834 85.668 0.38 2.97 2 2.9 0.0 361 1 4 1 42.883 85.766 0.38 2.96 2 4.2 0.1 362 -4 4 1 42.928 85.856 0.381 2.96 2 9.4 0.3 363 -3 4 2 42.958 85.916 0.381 2.96 2 30.5 3.6 364 2 -4 2 43.022 86.044 0.381 2.95 2 29.1 3.3 365 -1 3 4 43.023 86.046 0.381 2.95 2 28.7 3.2 366 -6 1 4 43.069 86.138 0.382 2.95 2 86.0 28.8 367 -1 -3 4 43.072 86.144 0.382 2.95 2 20.5 1.6 368 -3 3 4 43.15 86.299 0.382 2.94 2 18.2 1.3 369 4 -1 4 43.211 86.422 0.383 2.94 2 86.7 29.2 370 -2 2 5 43.248 86.496 0.383 2.94 2 12.7 0.6 371 1 -3 4 43.249 86.498 0.383 2.94 2 20.3 1.6 372 -6 0 4 43.281 86.561 0.383 2.93 2 39.1 5.9 373 2 0 5 43.365 86.731 0.384 2.93 2 15.2 0.9 374 -1 -2 5 43.368 86.737 0.384 2.93 2 27.5 2.9 375 4 0 4 43.406 86.812 0.384 2.92 2 40.1 6.2 376 -6 3 2 43.457 86.914 0.384 2.92 2 14.7 0.8 377 0 -2 5 43.524 87.047 0.385 2.92 2 10.2 0.4 378 5 -3 2 43.551 87.101 0.385 2.91 2 15.5 0.9 379 -1 2 5 43.658 87.317 0.386 2.91 2 28.9 3.2 380 -7 2 0 43.677 87.354 0.386 2.91 2 13.3 0.7 381 5 -2 3 43.74 87.48 0.386 2.9 2 12.6 0.6 382 0 4 2 43.742 87.485 0.387 2.9 2 4.5 0.1 383 2 -1 5 43.751 87.503 0.387 2.9 2 25.4 2.5 384 -7 2 2 43.768 87.536 0.387 2.9 2 55.6 11.9 385 -1 -4 2 43.769 87.538 0.387 2.9 2 3.8 0.1 386 2 3 3 43.849 87.697 0.387 2.89 2 16.8 1.1 387 6 -2 2 43.866 87.732 0.387 2.89 2 52.7 10.6 388 -3 2 5 43.906 87.813 0.388 2.89 2 24.2 2.2 389 -4 -1 5 44.04 88.08 0.389 2.88 2 30.5 3.5 390 4 3 1 44.116 88.233 0.389 2.88 2 2.8 0.0 391 -7 1 3 44.198 88.396 0.39 2.87 2 4.5 0.1 392 -2 -2 5 44.282 88.563 0.39 2.87 2 4.4 0.1 393 2 4 0 44.329 88.658 0.391 2.86 2 62.9 15.0 394 7 -1 1 44.339 88.677 0.391 2.86 2 4.3 0.1 395 -2 -4 1 44.354 88.707 0.391 2.86 2 11.8 0.5 396 -6 -2 1 44.439 88.879 0.391 2.86 2 7.2 0.2 397 4 -4 1 44.445 88.89 0.391 2.86 2 4.8 0.1 398 4 -3 3 44.473 88.946 0.392 2.86 2 8.7 0.3 399 0 3 4 44.562 89.125 0.392 2.85 2 1.4 0.0 400 -2 -3 4 44.586 89.173 0.392 2.85 2 8.7 0.3 401 1 -2 5 44.747 89.494 0.394 2.84 2 7.4 0.2 402 -4 3 4 44.815 89.631 0.394 2.84 2 41.0 6.3 403 -7 0 3 44.821 89.641 0.394 2.84 2 6.2 0.1 404 -4 4 2 44.834 89.668 0.394 2.84 2 32.1 3.9 405 3 -4 2 44.91 89.821 0.395 2.83 2 31.0 3.6 406 6 -3 1 44.931 89.862 0.395 2.83 2 3.1 0.0 407 2 -3 4 44.94 89.879 0.395 2.83 2 40.1 6.0 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 1 0 9.153 18.306 5.62294 57.4 4.4 4.4 5.6 2 1 0 1 9.892 19.784 5.20667 32.9 2.5 2.5 5.6 3 0 1 1 11.854 23.707 4.35443 40.2 3.1 3.1 5.6 4 -2 0 1 12.013 24.027 4.2974 28.7 2.2 2.2 5.6 5 -1 -1 1 12.889 25.777 4.01001 57.8 4.4 4.4 5.6 6 -2 1 0 13.056 26.111 3.95962 184.8 14.0 14.1 5.6 7 -2 1 1 13.996 27.992 3.69832 19.2 1.5 1.5 5.6 8 2 0 1 14.439 28.877 3.58726 76.4 5.8 5.8 5.6 9 2 1 0 15.797 31.593 3.28573 50.6 3.8 3.9 5.6 10 2 -1 1 15.843 31.686 3.27637 32.1 2.4 2.4 5.6 11 3 0 0 16.831 33.663 3.08908 550.3 41.8 41.9 5.7 12 -1 1 2 16.866 33.731 3.08298 216.1 16.4 16.4 5.7 13 -1 -1 2 17.466 34.933 2.9801 1315.9 100.0 100.0 5.7 14 -3 1 0 17.641 35.282 2.95154 222.6 16.9 16.9 5.7 15 -3 1 1 17.912 35.824 2.90827 15.8 1.2 1.2 5.7 16 -1 2 0 18.339 36.677 2.84286 149.0 11.3 11.3 5.7 17 0 2 0 18.551 37.102 2.81147 106.2 8.1 8.1 5.7 18 1 1 2 19.784 39.568 2.64264 97.4 7.4 7.4 5.7 19 -2 2 0 19.859 39.718 2.63301 285.4 21.7 21.6 5.7 20 -3 0 2 20.047 40.093 2.60938 18.3 1.4 1.4 5.7 21 2 0 2 20.095 40.191 2.60334 16.5 1.3 1.2 5.7 22 3 1 0 20.831 41.661 2.51531 130.5 9.9 9.9 5.7 23 -3 1 2 20.99 41.98 2.49705 105.3 8.0 7.9 5.7 24 2 -1 2 21.049 42.098 2.49038 95.3 7.2 7.2 5.7 25 4 0 0 22.71 45.421 2.31681 57.9 4.4 4.4 5.7 26 -3 2 0 22.822 45.644 2.30608 27.7 2.1 2.1 5.7 27 -1 2 2 23.353 46.706 2.25647 83.9 6.4 6.3 5.7 28 0 -2 2 23.384 46.768 2.25364 81.7 6.2 6.1 5.7 29 2 2 0 23.7 47.4 2.22533 49.9 3.8 3.7 5.7 30 -2 2 2 23.898 47.796 2.20794 75.8 5.8 5.7 5.7 31 1 -2 2 23.945 47.891 2.20383 87.7 6.7 6.6 5.7 32 -4 0 2 24.6 49.2 2.1487 23.7 1.8 1.8 5.7 33 3 0 2 24.658 49.315 2.14398 19.7 1.5 1.5 5.7 34 -3 2 2 25.822 51.644 2.05349 50.0 3.8 3.7 5.8 35 2 -2 2 25.883 51.766 2.04901 46.1 3.5 3.4 5.8 36 1 2 2 26.498 52.995 2.00479 50.1 3.8 3.7 5.8 37 -4 2 0 26.859 53.717 1.97981 60.4 4.6 4.5 5.8 38 -4 -1 2 27.893 55.786 1.91197 210.3 16.0 15.6 5.8 39 3 1 2 27.936 55.872 1.90926 221.9 16.9 16.5 5.8 40 0 3 0 28.504 57.008 1.87431 19.2 1.5 1.4 5.8 41 -5 1 0 28.614 57.228 1.86771 88.9 6.8 6.6 5.8 42 -1 0 4 29.213 58.427 1.83267 314.7 23.9 23.3 5.8 43 -5 1 2 29.8 59.599 1.79984 40.8 3.1 3.0 5.8 44 2 2 2 29.866 59.731 1.79622 154.6 11.7 11.4 5.8 45 -3 3 0 30.635 61.27 1.75534 31.4 2.4 2.3 5.8 46 -2 -2 3 30.931 61.862 1.74019 15.6 1.2 1.1 5.8 47 -5 2 0 31.719 63.438 1.70129 33.9 2.6 2.5 5.9 48 -1 3 2 31.993 63.985 1.68827 100.3 7.6 7.4 5.9 49 0 -3 2 32.027 64.054 1.68666 92.8 7.1 6.8 5.9 50 -2 3 2 32.07 64.14 1.68463 42.4 3.2 3.1 5.9 51 1 -3 2 32.118 64.236 1.68238 45.5 3.5 3.3 5.9 52 5 1 0 32.396 64.792 1.66949 20.1 1.5 1.5 5.9 53 -5 2 2 33.014 66.028 1.64168 66.9 5.1 4.9 5.9 54 4 -2 2 33.093 66.187 1.63819 42.6 3.2 3.1 5.9 55 2 3 0 33.187 66.374 1.63409 19.1 1.4 1.4 5.9 56 -4 -2 2 34.144 68.289 1.59361 40.6 3.1 3.0 5.9 57 3 2 2 34.174 68.348 1.5924 39.5 3.0 2.9 5.9 58 -4 0 4 34.535 69.071 1.57776 68.6 5.2 5.0 5.9 59 2 0 4 34.616 69.232 1.57456 63.1 4.8 4.6 5.9 60 -6 1 0 34.821 69.642 1.56644 41.4 3.1 3.0 5.9 61 -4 1 4 35.016 70.031 1.55883 25.6 1.9 1.9 5.9 62 2 -1 4 35.113 70.226 1.55507 23.8 1.8 1.7 5.9 63 -6 1 2 35.32 70.641 1.54711 58.6 4.5 4.3 5.9 64 5 -1 2 35.402 70.804 1.54401 33.7 2.6 2.4 5.9 65 -2 2 4 35.469 70.937 1.54149 21.0 1.6 1.5 5.9 66 0 -2 4 35.53 71.059 1.53919 19.4 1.5 1.4 5.9 67 -4 3 2 35.683 71.365 1.53346 38.7 2.9 2.8 5.9 68 -6 0 2 35.714 71.428 1.53229 14.6 1.1 1.1 5.9 69 3 -3 2 35.755 71.509 1.53078 39.6 3.0 2.9 5.9 70 5 0 2 35.787 71.574 1.52959 15.6 1.2 1.1 5.9 71 -3 2 4 36.444 72.889 1.50572 29.0 2.2 2.1 6.0 72 1 -2 4 36.531 73.062 1.50264 29.0 2.2 2.1 6.0 73 -2 -2 4 36.891 73.781 1.49005 20.5 1.6 1.5 6.0 74 3 3 0 37.079 74.158 1.48356 52.7 4.0 3.8 6.0 75 -4 -1 4 37.117 74.235 1.48225 28.8 2.2 2.1 6.0 76 2 1 4 37.178 74.357 1.48017 23.3 1.8 1.7 6.0 77 -5 3 0 37.708 75.415 1.46242 24.7 1.9 1.8 6.0 78 -6 2 2 37.96 75.92 1.45414 34.9 2.6 2.5 6.0 79 5 -2 2 38.048 76.096 1.45129 37.7 2.9 2.7 6.0 80 -3 -3 2 38.571 77.141 1.43462 24.6 1.9 1.8 6.0 81 5 2 0 38.752 77.503 1.42897 15.8 1.2 1.1 6.0 82 6 1 0 38.956 77.912 1.42266 14.2 1.1 1.0 6.0 83 -2 4 0 38.996 77.992 1.42143 25.9 2.0 1.9 6.0 84 -3 -2 4 39.209 78.418 1.41495 23.0 1.7 1.6 6.0 85 0 4 0 39.516 79.032 1.40573 80.9 6.1 5.8 6.0 86 -3 4 0 40.366 80.733 1.38104 65.4 5.0 4.6 6.1 87 -5 2 4 41.621 83.242 1.34667 15.7 1.2 1.1 6.1 88 6 -1 2 41.654 83.307 1.34581 13.4 1.0 0.9 6.1 89 3 -2 4 41.755 83.509 1.34315 14.1 1.1 1.0 6.1 90 -6 3 0 42.663 85.326 1.31987 14.0 1.1 1.0 6.1 91 -6 1 4 43.069 86.138 1.30984 30.5 2.3 2.1 6.1 92 4 -1 4 43.211 86.422 1.30638 29.2 2.2 2.0 6.1 93 -7 2 2 43.768 87.536 1.29305 14.4 1.1 1.0 6.2 94 2 4 0 44.329 88.658 1.28004 15.6 1.2 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) |