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 *** *********************** HILAIRITE 7, K-analogue K(1.48)Na(0.09)H(0.1)ZrSi(3)O(9) Hexagonal R 3 Z = 6 R =0.0526 NR =1765 28 .11 .11 Ref.Str.: Pekov I.V., Grigoryeva N.V., Zubkova N.V., Turchkova A.G., Pushcharovsky D.Y., (2010) * Kristallogr., 55, 1091-1100 R: Sample was synthesized by cation exchange at 150 C. Sample locality Kirovskii mine, Khibiny alkaline complex, Kola Peninsula, Russia. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.3804 alpha = 90.0 b = 10.3804 beta = 90.0 c = 14.9541 gamma = 120.0 Unit cell volume (cub. angs.) = 1395.47 Molar volume ( cub.cm/mol.) = 140.09 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.9241 0.0 K = 1.0 , K = 0.0 2 0.3354 0.8962 0.0871 0.0 K = 0.87, Na = 0.06 3 0.0 0.0 0.1895 0.0 Zr = 1.00 4 0.3333 0.6667 0.3352 0.0 Zr = 1.00 5 0.3184 0.2124 0.0759 0.0 Si = 1.00 6 0.0634 0.7211 0.2465 0.0 Si = 1.00 7 0.1839 0.0573 0.1076 0.0 O = 1.00 8 0.2206 0.7394 0.2563 0.0 O = 1.00 9 0.1274 0.1858 0.2673 0.0 O = 1.00 10 0.4072 0.8575 0.4145 0.0 O = 1.00 11 0.9497 0.5858 0.3074 0.0 O = 1.00 12 0.3289 0.3495 0.14 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.9241 2 2 0.3354 0.8962 0.0871 3 3 0.0 0.0 0.1895 4 4 0.3333 0.6667 0.3352 5 5 0.3184 0.2124 0.0759 6 6 0.0634 0.7211 0.2465 7 7 0.1839 0.0573 0.1076 8 8 0.2206 0.7394 0.2563 9 9 0.1274 0.1858 0.2673 10 10 0.4072 0.8575 0.4145 11 11 0.9497 0.5858 0.3074 12 12 0.3289 0.3495 0.14 13 2 0.1038 0.4392 0.0871 14 2 0.5608 0.6646 0.0871 15 5 0.7876 0.106 0.0759 16 5 0.894 0.6816 0.0759 17 6 0.2789 0.3423 0.2465 18 6 0.6577 0.9366 0.2465 19 7 0.9427 0.1266 0.1076 20 7 0.8734 0.8161 0.1076 21 8 0.2606 0.4812 0.2563 22 8 0.5188 0.7794 0.2563 23 9 0.8142 0.9416 0.2673 24 9 0.0584 0.8726 0.2673 25 10 0.1425 0.5497 0.4145 26 10 0.4503 0.5928 0.4145 27 11 0.4142 0.3639 0.3074 28 11 0.6361 0.0503 0.3074 29 12 0.6505 0.9794 0.14 30 12 0.0206 0.6711 0.14 31 1 0.6667 0.3333 0.2574 32 1 0.3333 0.6667 0.5908 33 2 0.7705 0.7725 0.4204 34 2 0.8941 0.3313 0.7538 35 3 0.6667 0.3333 0.5228 36 3 0.3333 0.6667 0.8561 37 4 0.0 0.0 0.6685 38 4 0.6667 0.3333 0.0018 39 5 0.4543 0.4393 0.4092 40 5 0.2273 0.3483 0.7426 41 6 0.9456 0.6756 0.5798 42 6 0.991 0.6033 0.9132 43 7 0.6094 0.4599 0.4409 44 7 0.2067 0.4828 0.7743 45 8 0.9273 0.8145 0.5896 46 8 0.8521 0.4461 0.923 47 9 0.4809 0.2749 0.6006 48 9 0.3917 0.5393 0.934 49 10 0.8092 0.883 0.7478 50 10 0.7836 0.2595 0.0812 51 11 0.0809 0.6972 0.6407 52 11 0.9694 0.717 0.9741 53 12 0.3172 0.3127 0.4733 54 12 0.3539 0.3378 0.8067 55 2 0.2275 0.9979 0.4204 56 2 0.6687 0.5629 0.7538 57 2 0.0021 0.2295 0.4204 58 2 0.4371 0.1058 0.7538 59 5 0.5607 0.0149 0.4092 60 5 0.6517 0.8791 0.7426 61 5 0.9851 0.5457 0.4092 62 5 0.1209 0.7727 0.7426 63 6 0.3244 0.2699 0.5798 64 6 0.3967 0.3878 0.9132 65 6 0.7301 0.0544 0.5798 66 6 0.6122 0.0089 0.9132 67 7 0.5401 0.1494 0.4409 68 7 0.5172 0.724 0.7743 69 7 0.8506 0.3906 0.4409 70 7 0.276 0.7932 0.7743 71 8 0.1855 0.1127 0.5896 72 8 0.5539 0.4061 0.923 73 8 0.8873 0.0727 0.5896 74 8 0.5939 0.1478 0.923 75 9 0.7251 0.2059 0.6006 76 9 0.4607 0.8525 0.934 77 9 0.7941 0.5191 0.6006 78 9 0.1475 0.6082 0.934 79 10 0.117 0.9261 0.7478 80 10 0.7405 0.5242 0.0812 81 10 0.0739 0.1908 0.7478 82 10 0.4758 0.2164 0.0812 83 11 0.3028 0.3836 0.6407 84 11 0.283 0.2525 0.9741 85 11 0.6164 0.9191 0.6407 86 11 0.7475 0.0305 0.9741 87 12 0.6873 0.0044 0.4733 88 12 0.6622 0.0162 0.8067 89 12 0.9956 0.6828 0.4733 90 12 0.9838 0.646 0.8067 X-ray density (g/cm cub.) = 2.8 MU (1/cm) = 213.999 Mass attenuation coefficient (cm**2/g) = 76.435 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 K ,K 3.228 9 3.2237 7 3.2237 7 3.2237 7 3.153 10 2.8912 11 3.153 10 3.153 10 2.891 11 2.8911 11 2 K ,Na 3.228 6 2.8273 7 2.9209 8 3.0406 12 3.0212 12 2.7809 9 2.8866 10 3 Zr 2.616 6 2.0884 7 2.0671 9 2.0883 7 2.0884 7 2.067 9 2.0671 9 4 Zr 2.616 6 2.0528 8 2.0976 10 2.053 8 2.053 8 2.0976 10 2.0978 10 5 Si 2.1 4 1.5869 7 1.6736 12 1.6159 10 1.6673 11 6 Si 2.1 4 1.5525 8 1.5929 11 1.6291 9 1.6651 12 7 O 3.264 7 2.9341 9 2.6711 12 2.9303 7 2.9303 7 2.9289 9 2.6574 10 2.6582 11 8 O 3.264 7 2.9115 10 2.5593 11 2.9102 8 2.9102 8 2.6648 9 2.9216 10 2.5229 12 9 O 3.264 7 2.9341 7 2.7078 12 2.9289 7 2.6648 8 2.9588 9 2.9588 9 2.6714 11 10 O 3.264 7 2.9115 8 2.9216 8 2.9966 10 2.9966 10 2.7315 11 2.6575 7 2.668 12 11 O 3.264 6 2.5593 8 2.6714 9 2.7315 10 2.6345 12 2.6581 7 2.6304 12 12 O 3.264 6 2.6711 7 2.7078 9 2.5229 8 2.6345 11 2.668 10 2.6305 11 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 0 1 5.738 11.476 0.065 197.13 6 6.5 2.5 2 1 0 -2 7.701 15.401 0.087 108.44 6 254.8 2170.0 3 1 1 0 8.535 17.07 0.096 87.86 6 205.6 1144.6 4 0 0 3 8.889 17.779 0.1 80.82 2 48.3 19.3 5 2 0 -1 10.308 20.616 0.116 59.55 6 22.9 9.6 6 2 0 2 11.534 23.068 0.13 47.14 6 62.4 56.5 7 1 1 -3 12.372 24.744 0.139 40.7 6 187.0 438.3 8 1 1 3 12.372 24.744 0.139 40.7 6 163.9 336.8 9 1 0 4 12.894 25.788 0.145 37.31 6 184.4 390.7 10 1 2 -1 13.443 26.886 0.151 34.16 6 118.6 148.1 11 2 1 1 13.443 26.886 0.151 34.16 6 136.2 195.3 12 1 2 2 14.419 28.838 0.162 29.43 6 238.6 516.3 13 2 1 -2 14.419 28.838 0.162 29.43 6 355.2 1143.9 14 3 0 0 14.895 29.791 0.167 27.45 6 294.2 732.3 15 2 0 -4 15.545 31.09 0.174 25.05 6 354.2 968.2 16 1 0 -5 15.749 31.498 0.176 24.36 6 32.9 8.1 17 2 2 0 17.267 34.534 0.193 19.95 6 193.6 230.4 18 3 0 -3 17.453 34.906 0.195 19.49 6 131.9 104.5 19 3 0 3 17.453 34.906 0.195 19.49 6 104.4 65.4 20 1 2 -4 17.839 35.678 0.199 18.58 6 133.8 102.5 21 2 1 4 17.839 35.678 0.199 18.58 6 255.4 373.3 22 0 0 6 18.002 36.005 0.201 18.21 2 302.2 170.8 23 2 0 5 18.02 36.04 0.201 18.17 6 11.8 0.8 24 1 3 1 18.253 36.505 0.203 17.67 6 38.6 8.1 25 3 1 -1 18.253 36.505 0.203 17.67 6 0.9 0.0 26 1 3 -2 19.006 38.012 0.211 16.16 6 139.4 96.8 27 3 1 2 19.006 38.012 0.211 16.16 6 111.8 62.3 28 2 2 -3 19.55 39.101 0.217 15.18 6 126.7 75.1 29 2 2 3 19.55 39.101 0.217 15.18 6 118.5 65.7 30 1 1 -6 20.05 40.101 0.223 14.36 6 201.0 178.6 31 1 1 6 20.05 40.101 0.223 14.36 6 134.4 79.9 32 1 2 5 20.066 40.133 0.223 14.33 6 67.1 19.9 33 2 1 -5 20.066 40.133 0.223 14.33 6 19.7 1.7 34 4 0 1 20.279 40.558 0.225 14.0 6 108.2 50.5 35 4 0 -2 20.97 41.941 0.232 12.99 6 58.1 13.5 36 1 0 7 21.753 43.506 0.241 11.96 6 36.3 4.8 37 1 3 4 21.799 43.597 0.241 11.91 6 258.3 244.8 38 3 1 -4 21.799 43.597 0.241 11.91 6 342.1 429.4 39 2 3 -1 22.15 44.299 0.245 11.49 6 125.2 55.5 40 3 2 1 22.15 44.299 0.245 11.49 6 121.5 52.2 41 2 3 2 22.795 45.59 0.251 10.76 6 189.5 119.1 42 3 2 -2 22.795 45.59 0.251 10.76 6 105.7 37.1 43 1 4 0 23.12 46.24 0.255 10.43 6 227.6 166.3 44 4 1 0 23.12 46.24 0.255 10.43 6 170.5 93.4 45 2 0 -7 23.529 47.059 0.259 10.02 6 114.1 40.2 46 4 0 4 23.572 47.144 0.26 9.98 6 238.6 175.0 47 3 0 -6 23.702 47.405 0.261 9.85 6 163.3 81.0 48 3 0 6 23.702 47.405 0.261 9.85 6 135.9 56.0 49 1 3 -5 23.717 47.433 0.261 9.84 6 48.7 7.2 50 3 1 5 23.717 47.433 0.261 9.84 6 45.6 6.3 51 1 0 -8 24.891 49.782 0.273 8.82 6 121.2 39.9 52 1 4 -3 24.959 49.918 0.274 8.76 6 78.6 16.7 53 1 4 3 24.959 49.918 0.274 8.76 6 2.8 0.0 54 4 1 -3 24.959 49.918 0.274 8.76 6 102.4 28.3 55 4 1 3 24.959 49.918 0.274 8.76 6 49.7 6.7 56 1 2 -7 25.208 50.417 0.276 8.57 6 195.6 101.0 57 2 1 7 25.208 50.417 0.276 8.57 6 189.9 95.2 58 2 3 -4 25.249 50.498 0.277 8.54 6 173.1 78.8 59 3 2 4 25.249 50.498 0.277 8.54 6 171.8 77.7 60 2 2 -6 25.373 50.746 0.278 8.44 6 199.8 103.8 61 2 2 6 25.373 50.746 0.278 8.44 6 181.9 86.1 62 4 0 -5 25.386 50.773 0.278 8.43 6 191.7 95.5 63 5 0 -1 25.563 51.127 0.28 8.3 6 18.4 0.9 64 5 0 2 26.144 52.289 0.286 7.88 6 102.6 25.5 65 3 3 0 26.438 52.876 0.289 7.69 6 275.4 179.6 66 2 0 8 26.506 53.012 0.29 7.64 6 275.6 178.8 67 2 3 5 26.98 53.96 0.294 7.34 6 38.8 3.4 68 3 2 -5 26.98 53.96 0.294 7.34 6 124.7 35.1 69 2 4 1 27.15 54.3 0.296 7.24 6 12.0 0.3 70 4 2 -1 27.15 54.3 0.296 7.24 6 43.3 4.2 71 0 0 9 27.619 55.238 0.301 6.96 2 118.3 10.0 72 2 4 -2 27.707 55.415 0.302 6.91 6 241.8 124.4 73 4 2 2 27.707 55.415 0.302 6.91 6 187.1 74.5 74 1 2 8 28.055 56.11 0.305 6.72 6 230.8 110.3 75 2 1 -8 28.055 56.11 0.305 6.72 6 93.1 17.9 76 3 3 -3 28.118 56.236 0.306 6.68 6 182.4 68.5 77 3 3 3 28.118 56.236 0.306 6.68 6 156.3 50.3 78 1 3 7 28.348 56.695 0.308 6.56 6 90.5 16.6 79 3 1 -7 28.348 56.695 0.308 6.56 6 96.8 18.9 80 5 0 -4 28.385 56.77 0.309 6.54 6 365.9 269.7 81 1 5 -1 28.675 57.351 0.311 6.39 6 84.5 14.1 82 5 1 1 28.675 57.351 0.311 6.39 6 70.0 9.6 83 1 1 -9 29.128 58.256 0.316 6.17 6 71.3 9.7 84 1 1 9 29.128 58.256 0.316 6.17 6 133.5 33.9 85 1 5 2 29.214 58.428 0.317 6.13 6 165.0 51.4 86 5 1 -2 29.214 58.428 0.317 6.13 6 196.9 73.2 87 4 0 7 29.833 59.666 0.323 5.85 6 79.7 11.4 88 2 4 4 29.869 59.738 0.323 5.83 6 185.6 61.9 89 4 2 -4 29.869 59.738 0.323 5.83 6 105.9 20.1 90 1 4 -6 29.98 59.96 0.324 5.78 6 133.5 31.7 91 1 4 6 29.98 59.96 0.324 5.78 6 60.7 6.6 92 4 1 -6 29.98 59.96 0.324 5.78 6 169.4 51.1 93 4 1 6 29.98 59.96 0.324 5.78 6 57.9 6.0 94 5 0 5 29.992 59.984 0.324 5.78 6 20.6 0.8 95 6 0 0 30.938 61.876 0.334 5.39 6 186.6 57.8 96 1 3 -8 30.999 61.998 0.334 5.37 6 313.1 162.2 97 3 1 8 30.999 61.998 0.334 5.37 6 144.5 34.5 98 2 3 -7 31.274 62.549 0.337 5.26 6 181.8 53.6 99 3 2 7 31.274 62.549 0.337 5.26 6 140.4 32.0 100 1 5 -4 31.31 62.619 0.337 5.25 6 160.6 41.7 101 5 1 4 31.31 62.619 0.337 5.25 6 168.5 46.0 102 2 4 -5 31.429 62.858 0.338 5.21 6 62.6 6.3 103 4 2 5 31.429 62.858 0.338 5.21 6 36.1 2.1 104 1 0 10 31.478 62.956 0.339 5.19 6 115.5 21.3 105 3 4 -1 31.583 63.167 0.34 5.15 6 19.3 0.6 106 4 3 1 31.583 63.167 0.34 5.15 6 40.8 2.6 107 3 0 -9 32.011 64.022 0.344 5.0 6 57.1 5.0 108 3 0 9 32.011 64.022 0.344 5.0 6 78.8 9.6 109 3 4 2 32.092 64.185 0.345 4.97 6 123.2 23.3 110 4 3 -2 32.092 64.185 0.345 4.97 6 169.8 44.2 111 2 5 0 32.351 64.702 0.347 4.89 6 200.1 60.3 112 5 2 0 32.351 64.702 0.347 4.89 6 293.1 129.4 113 4 0 -8 32.411 64.821 0.348 4.87 6 191.4 55.0 114 6 0 -3 32.468 64.936 0.348 4.85 6 33.5 1.7 115 6 0 3 32.468 64.936 0.348 4.85 6 71.6 7.7 116 3 3 -6 32.819 65.638 0.352 4.74 6 177.6 46.1 117 3 3 6 32.819 65.638 0.352 4.74 6 215.3 67.7 118 1 5 5 32.83 65.661 0.352 4.74 6 42.2 2.6 119 5 1 -5 32.83 65.661 0.352 4.74 6 88.8 11.5 120 2 0 -10 32.878 65.756 0.352 4.72 6 103.0 15.4 121 2 2 -9 33.399 66.798 0.357 4.57 6 108.6 16.6 122 2 2 9 33.399 66.798 0.357 4.57 6 39.8 2.2 123 2 3 8 33.79 67.58 0.361 4.46 6 151.6 31.6 124 3 2 -8 33.79 67.58 0.361 4.46 6 220.8 66.9 125 2 5 -3 33.846 67.693 0.362 4.44 6 96.8 12.8 126 2 5 3 33.846 67.693 0.362 4.44 6 115.8 18.3 127 5 2 -3 33.846 67.693 0.362 4.44 6 81.6 9.1 128 5 2 3 33.846 67.693 0.362 4.44 6 114.8 18.0 129 5 0 -7 34.053 68.106 0.363 4.38 6 58.5 4.6 130 3 4 -4 34.087 68.174 0.364 4.38 6 186.8 47.0 131 4 3 4 34.087 68.174 0.364 4.38 6 116.0 18.1 132 1 2 -10 34.248 68.496 0.365 4.33 6 236.2 74.5 133 2 1 10 34.248 68.496 0.365 4.33 6 157.6 33.2 134 1 6 1 34.349 68.698 0.366 4.31 6 187.6 46.7 135 6 1 -1 34.349 68.698 0.366 4.31 6 246.5 80.7 136 1 6 -2 34.837 69.673 0.371 4.18 6 202.5 52.9 137 6 1 2 34.837 69.673 0.371 4.18 6 261.9 88.5 138 1 0 -11 34.963 69.926 0.372 4.15 6 117.6 17.7 139 2 4 7 35.401 70.802 0.376 4.05 6 108.8 14.8 140 4 2 -7 35.401 70.802 0.376 4.05 6 51.6 3.3 141 3 4 5 35.546 71.093 0.377 4.02 6 24.3 0.7 142 4 3 -5 35.546 71.093 0.377 4.02 6 48.0 2.8 143 2 0 11 36.296 72.592 0.384 3.86 6 167.0 33.2 144 4 4 0 36.416 72.832 0.385 3.83 6 248.3 72.8 145 5 0 8 36.472 72.945 0.386 3.82 6 318.9 119.8 146 1 5 -7 36.727 73.454 0.388 3.77 6 105.7 13.0 147 5 1 7 36.727 73.454 0.388 3.77 6 133.8 20.8 148 1 6 4 36.76 73.519 0.388 3.77 6 83.5 8.1 149 6 1 -4 36.76 73.519 0.388 3.77 6 34.3 1.4 150 6 0 -6 36.859 73.719 0.389 3.75 6 123.6 17.6 151 6 0 6 36.859 73.719 0.389 3.75 6 130.0 19.5 152 1 3 10 36.916 73.832 0.39 3.74 6 137.4 21.7 153 3 1 -10 36.916 73.832 0.39 3.74 6 48.3 2.7 154 3 5 1 37.013 74.027 0.391 3.72 6 98.7 11.1 155 5 3 -1 37.013 74.027 0.391 3.72 6 77.1 6.8 156 7 0 1 37.013 74.027 0.391 3.72 6 6.9 0.1 157 1 4 -9 37.411 74.822 0.394 3.64 6 125.9 17.8 158 1 4 9 37.411 74.822 0.394 3.64 6 134.7 20.4 159 4 1 -9 37.411 74.822 0.394 3.64 6 55.3 3.4 160 4 1 9 37.411 74.822 0.394 3.64 6 178.9 35.9 161 3 5 -2 37.487 74.973 0.395 3.63 6 102.1 11.7 162 5 3 2 37.487 74.973 0.395 3.63 6 114.5 14.7 163 7 0 -2 37.487 74.973 0.395 3.63 6 22.9 0.6 164 1 2 11 37.609 75.219 0.396 3.61 6 106.2 12.5 165 2 1 -11 37.609 75.219 0.396 3.61 6 168.1 31.4 166 2 4 -8 37.784 75.567 0.398 3.58 6 47.8 2.5 167 4 2 8 37.784 75.567 0.398 3.58 6 117.4 15.2 168 4 4 -3 37.838 75.675 0.398 3.57 6 23.7 0.6 169 4 4 3 37.838 75.675 0.398 3.57 6 56.3 3.5 170 2 5 -6 38.166 76.332 0.401 3.52 6 155.2 26.1 171 2 5 6 38.166 76.332 0.401 3.52 6 54.0 3.2 172 5 2 -6 38.166 76.332 0.401 3.52 6 74.4 6.0 173 5 2 6 38.166 76.332 0.401 3.52 6 30.3 1.0 174 1 6 -5 38.177 76.353 0.401 3.52 6 164.1 29.2 175 6 1 5 38.177 76.353 0.401 3.52 6 236.0 60.3 176 0 0 12 38.179 76.357 0.401 3.51 2 317.0 36.3 177 4 0 10 38.222 76.443 0.402 3.51 6 125.7 17.1 178 2 6 -1 38.318 76.636 0.402 3.49 6 92.9 9.3 179 6 2 1 38.318 76.636 0.402 3.49 6 77.7 6.5 180 2 6 2 38.786 77.572 0.407 3.42 6 178.9 33.7 181 6 2 -2 38.786 77.572 0.407 3.42 6 153.6 24.9 182 1 5 8 39.08 78.159 0.409 3.38 6 130.1 17.6 183 5 1 -8 39.08 78.159 0.409 3.38 6 128.7 17.2 184 3 4 -7 39.328 78.657 0.411 3.34 6 61.9 3.9 185 4 3 7 39.328 78.657 0.411 3.34 6 20.9 0.5 186 3 5 4 39.36 78.721 0.412 3.34 6 128.7 17.0 187 5 3 -4 39.36 78.721 0.412 3.34 6 180.0 33.3 188 7 0 4 39.36 78.721 0.412 3.34 6 270.0 75.0 189 1 1 -12 39.471 78.941 0.413 3.32 6 190.8 37.3 190 1 1 12 39.471 78.941 0.413 3.32 6 133.4 18.2 191 2 3 -10 39.513 79.026 0.413 3.32 6 94.1 9.1 192 3 2 10 39.513 79.026 0.413 3.32 6 130.0 17.3 193 3 3 -9 39.998 79.996 0.417 3.25 6 126.7 16.1 194 3 3 9 39.998 79.996 0.417 3.25 6 87.3 7.6 195 1 3 -11 40.193 80.385 0.419 3.23 6 92.3 8.5 196 3 1 11 40.193 80.385 0.419 3.23 6 108.0 11.6 197 1 7 0 40.309 80.617 0.42 3.22 6 133.7 17.7 198 7 1 0 40.309 80.617 0.42 3.22 6 101.1 10.1 199 2 6 -4 40.642 81.284 0.423 3.18 6 148.4 21.6 200 6 2 4 40.642 81.284 0.423 3.18 6 149.8 22.0 201 3 5 -5 40.749 81.499 0.424 3.17 6 21.6 0.5 202 5 3 5 40.749 81.499 0.424 3.17 6 46.7 2.1 203 7 0 -5 40.749 81.499 0.424 3.17 6 21.9 0.5 204 4 0 -11 41.468 82.936 0.43 3.09 6 75.6 5.4 205 3 4 8 41.638 83.276 0.431 3.07 6 108.3 11.1 206 4 3 -8 41.638 83.276 0.431 3.07 6 106.6 10.8 207 1 7 -3 41.691 83.381 0.432 3.07 6 128.2 15.5 208 1 7 3 41.691 83.381 0.432 3.07 6 134.1 17.0 209 7 1 -3 41.691 83.381 0.432 3.07 6 112.8 12.0 210 7 1 3 41.691 83.381 0.432 3.07 6 93.8 8.3 211 1 6 7 41.883 83.767 0.433 3.05 6 132.1 16.4 212 6 1 -7 41.883 83.767 0.433 3.05 6 237.5 53.0 213 4 4 -6 42.011 84.022 0.434 3.04 6 98.5 9.1 214 4 4 6 42.011 84.022 0.434 3.04 6 42.3 1.7 215 2 6 5 42.022 84.043 0.435 3.04 6 58.4 3.2 216 6 2 -5 42.022 84.043 0.435 3.04 6 50.0 2.3 217 3 0 -12 42.023 84.047 0.435 3.04 6 86.3 7.0 218 3 0 12 42.023 84.047 0.435 3.04 6 93.0 8.1 219 5 0 -10 42.065 84.131 0.435 3.03 6 132.5 16.4 220 4 5 -1 42.16 84.319 0.436 3.02 6 78.0 5.7 221 5 4 1 42.16 84.319 0.436 3.02 6 121.9 13.8 222 1 0 13 42.461 84.921 0.438 3.0 6 151.4 21.2 223 4 5 2 42.618 85.235 0.44 2.98 6 73.1 4.9 224 5 4 -2 42.618 85.235 0.44 2.98 6 38.2 1.3 225 2 3 11 42.737 85.473 0.441 2.97 6 117.2 12.6 226 3 2 -11 42.737 85.473 0.441 2.97 6 156.5 22.5 227 3 6 0 42.852 85.703 0.441 2.97 6 152.7 21.3 228 6 3 0 42.852 85.703 0.441 2.97 6 126.7 14.7 229 2 2 -12 43.29 86.58 0.445 2.93 6 40.2 1.5 230 2 2 12 43.29 86.58 0.445 2.93 6 144.5 18.9 231 2 4 10 43.332 86.663 0.445 2.93 6 72.1 4.7 232 4 2 -10 43.332 86.663 0.445 2.93 6 142.7 18.4 233 8 0 -1 43.426 86.851 0.446 2.92 6 52.0 2.4 234 2 0 -13 43.726 87.451 0.449 2.9 6 44.2 1.7 235 6 0 -9 43.809 87.618 0.449 2.9 6 64.9 3.8 236 6 0 9 43.809 87.618 0.449 2.9 6 13.8 0.2 237 8 0 2 43.882 87.764 0.45 2.89 6 54.6 2.7 238 1 6 -8 44.17 88.339 0.452 2.87 6 61.0 3.3 239 6 1 8 44.17 88.339 0.452 2.87 6 109.3 10.6 240 3 6 -3 44.222 88.443 0.453 2.87 6 38.8 1.3 241 3 6 3 44.222 88.443 0.453 2.87 6 29.2 0.8 242 6 3 -3 44.222 88.443 0.453 2.87 6 47.9 2.0 243 6 3 3 44.222 88.443 0.453 2.87 6 71.7 4.5 244 3 5 7 44.413 88.827 0.454 2.86 6 173.0 26.4 245 5 3 -7 44.413 88.827 0.454 2.86 6 57.2 2.9 246 7 0 7 44.413 88.827 0.454 2.86 6 82.3 6.0 247 4 5 -4 44.445 88.889 0.455 2.86 6 195.1 33.5 248 5 4 4 44.445 88.889 0.455 2.86 6 266.8 62.7 249 1 5 -10 44.594 89.189 0.456 2.85 6 35.4 1.1 250 5 1 10 44.594 89.189 0.456 2.85 6 85.6 6.4 251 2 7 1 44.688 89.377 0.456 2.84 6 44.2 1.7 252 7 2 -1 44.688 89.377 0.456 2.84 6 58.5 3.0 253 1 2 -13 44.988 89.976 0.459 2.83 6 20.5 0.4 254 2 1 13 44.988 89.976 0.459 2.83 6 88.5 6.8 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 1 0 2 7.701 15.401 5.74854 2170.0 100.0 100.0 5.6 2 1 1 0 8.535 17.07 5.1902 1144.6 52.7 52.7 5.6 3 2 0 2 11.534 23.068 3.85234 56.5 2.6 2.6 5.6 4 1 1 3 12.372 24.744 3.59517 775.1 35.7 35.5 5.6 5 1 0 4 12.894 25.788 3.45192 390.7 18.0 17.9 5.6 6 2 1 1 13.443 26.886 3.31333 343.4 15.8 15.7 5.6 7 2 1 2 14.419 28.838 3.09336 1660.3 76.5 75.8 5.6 8 3 0 0 14.895 29.791 2.99656 732.3 33.7 33.4 5.6 9 2 0 4 15.545 31.09 2.87427 968.2 44.6 44.1 5.6 10 2 2 0 17.267 34.534 2.5951 230.4 10.6 10.5 5.7 11 3 0 3 17.453 34.906 2.56823 169.9 7.8 7.7 5.7 12 2 1 4 17.839 35.678 2.51445 475.9 21.9 21.6 5.7 13 0 0 6 18.002 36.005 2.49235 171.6 7.9 7.8 5.7 14 1 3 2 19.006 38.012 2.36525 159.1 7.3 7.2 5.7 15 2 2 3 19.55 39.101 2.30184 140.8 6.5 6.4 5.7 16 1 1 6 20.05 40.101 2.24673 280.1 12.9 12.7 5.7 17 4 0 1 20.279 40.558 2.22246 50.5 2.3 2.3 5.7 18 3 1 4 21.799 43.597 2.0743 674.3 31.1 30.4 5.7 19 2 3 1 22.15 44.299 2.04304 107.8 5.0 4.8 5.7 20 2 3 2 22.795 45.59 1.98813 156.2 7.2 7.0 5.7 21 1 4 0 23.12 46.24 1.96171 259.7 12.0 11.7 5.7 22 2 0 7 23.529 47.059 1.92946 40.2 1.9 1.8 5.7 23 4 0 4 23.572 47.144 1.92617 175.0 8.1 7.8 5.7 24 3 0 6 23.702 47.405 1.91618 150.5 6.9 6.7 5.7 25 1 0 8 24.891 49.782 1.83012 39.9 1.8 1.8 5.7 26 4 1 3 24.959 49.918 1.82544 51.6 2.4 2.3 5.7 27 1 2 7 25.208 50.417 1.80854 196.2 9.0 8.8 5.8 28 2 3 4 25.249 50.498 1.80582 156.4 7.2 7.0 5.8 29 2 2 6 25.373 50.746 1.79758 285.4 13.2 12.7 5.8 30 5 0 2 26.144 52.289 1.74811 25.5 1.2 1.1 5.8 31 3 3 0 26.438 52.876 1.73007 179.6 8.3 8.0 5.8 32 2 0 8 26.506 53.012 1.72596 178.8 8.2 8.0 5.8 33 3 2 5 26.98 53.96 1.69784 38.6 1.8 1.7 5.8 34 2 4 2 27.707 55.415 1.65667 198.9 9.2 8.8 5.8 35 1 2 8 28.055 56.11 1.63778 128.2 5.9 5.7 5.8 36 3 3 3 28.118 56.236 1.63442 118.8 5.5 5.3 5.8 37 3 1 7 28.348 56.695 1.62226 35.5 1.6 1.6 5.8 38 5 0 4 28.385 56.77 1.6203 269.7 12.4 11.9 5.8 39 1 5 1 28.675 57.351 1.60527 23.7 1.1 1.0 5.8 40 1 1 9 29.128 58.256 1.58245 43.5 2.0 1.9 5.8 41 5 1 2 29.214 58.428 1.57822 124.6 5.7 5.5 5.8 42 2 4 4 29.869 59.738 1.54668 82.0 3.8 3.6 5.8 43 4 1 6 29.98 59.96 1.5415 96.2 4.4 4.2 5.8 44 6 0 0 30.938 61.876 1.49828 57.8 2.7 2.5 5.8 45 1 3 8 30.999 61.998 1.49561 196.7 9.1 8.6 5.8 46 2 3 7 31.274 62.549 1.48377 85.5 3.9 3.8 5.8 47 5 1 4 31.31 62.619 1.48227 87.7 4.0 3.9 5.8 48 4 3 2 32.092 64.185 1.44985 67.5 3.1 3.0 5.9 49 5 2 0 32.351 64.702 1.4395 189.7 8.7 8.3 5.9 50 4 0 8 32.411 64.821 1.43714 55.0 2.5 2.4 5.9 51 3 3 6 32.819 65.638 1.42122 127.9 5.9 5.6 5.9 52 3 2 8 33.79 67.58 1.38502 98.5 4.5 4.3 5.9 53 5 2 3 33.846 67.693 1.38299 58.3 2.7 2.5 5.9 54 3 4 4 34.087 68.174 1.3744 65.2 3.0 2.8 5.9 55 1 2 10 34.248 68.496 1.36871 107.6 5.0 4.7 5.9 56 6 1 1 34.349 68.698 1.36519 127.4 5.9 5.5 5.9 57 6 1 2 34.837 69.673 1.34844 141.3 6.5 6.1 5.9 58 2 0 11 36.296 72.592 1.30125 33.2 1.5 1.4 6.0 59 4 4 0 36.416 72.832 1.29755 72.8 3.4 3.1 6.0 60 5 0 8 36.472 72.945 1.29582 119.8 5.5 5.2 6.0 61 5 1 7 36.727 73.454 1.28809 33.8 1.6 1.5 6.0 62 6 0 6 36.859 73.719 1.28411 37.2 1.7 1.6 6.0 63 1 3 10 36.916 73.832 1.28243 24.4 1.1 1.1 6.0 64 4 1 9 37.411 74.822 1.26789 77.6 3.6 3.3 6.0 65 5 3 2 37.487 74.973 1.26571 26.9 1.2 1.2 6.0 66 2 1 11 37.609 75.219 1.26219 44.0 2.0 1.9 6.0 67 0 0 12 38.179 76.357 1.24617 162.0 7.5 6.9 6.0 68 2 6 2 38.786 77.572 1.22967 58.6 2.7 2.5 6.0 69 1 5 8 39.08 78.159 1.22189 34.9 1.6 1.5 6.0 70 7 0 4 39.36 78.721 1.21458 125.4 5.8 5.3 6.0 71 1 1 12 39.471 78.941 1.21174 55.5 2.6 2.4 6.0 72 3 2 10 39.513 79.026 1.21065 26.3 1.2 1.1 6.0 73 3 3 9 39.998 79.996 1.19839 23.7 1.1 1.0 6.0 74 1 7 0 40.309 80.617 1.19071 27.9 1.3 1.2 6.1 75 6 2 4 40.642 81.284 1.18263 43.5 2.0 1.8 6.1 76 3 4 8 41.638 83.276 1.15932 21.9 1.0 0.9 6.1 77 1 7 3 41.691 83.381 1.15813 52.9 2.4 2.2 6.1 78 6 1 7 41.883 83.767 1.15378 69.4 3.2 2.9 6.1 79 4 4 6 42.011 84.022 1.15092 31.3 1.4 1.3 6.1 80 3 2 11 42.737 85.473 1.13505 35.0 1.6 1.5 6.1 81 3 6 0 42.852 85.703 1.13259 36.0 1.7 1.5 6.1 82 4 2 10 43.332 86.663 1.1225 23.1 1.1 1.0 6.1 83 3 5 7 44.413 88.827 1.10067 35.2 1.6 1.5 6.2 84 5 4 4 44.445 88.889 1.10006 96.2 4.4 4.0 6.2 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |