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 *** *********************** MARIALITE 15, at 600'C, f-feldspathoid, scapolite Na(4)Al(3)Si(9)O(24)Cl Tetragonal I 4/m Z = 2 R =0.032 NR =506 19 .1 .1999 Ref.Str.: Kabalov Yu.K., Sokolova E.V., Kaligina N.V., Shnayder Yu. (1999) * Kristallogr., 44, 1049-1053 Reserv: from Pamire. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 12.1466 alpha = 90.0 b = 12.1466 beta = 90.0 c = 7.5504 gamma = 90.0 Unit cell volume (cub. angs.) = 1113.99 Molar volume ( cub.cm/mol.) = 335.5 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3712 0.2973 0.5 7.2 Na = 1.00 2 0.3375 0.417 0.0 1.6 Si = 1.00 3 0.6615 0.9198 0.7942 1.82 Si = 0.7 , Al = 0.3 4 0.453 0.3553 0.0 3.2 O = 1.00 5 0.696 0.8911 0.0 3.2 O = 1.00 6 0.3503 0.9457 0.779 4.6 O = 1.00 7 0.2684 0.3797 0.825 3.6 O = 1.00 8 0.5 0.5 0.5 8.4 Cl = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3712 0.2973 0.5 2 2 0.3375 0.417 0.0 3 3 0.6615 0.9198 0.7942 4 4 0.453 0.3553 0.0 5 5 0.696 0.8911 0.0 6 6 0.3503 0.9457 0.779 7 7 0.2684 0.3797 0.825 8 8 0.5 0.5 0.5 9 1 0.7027 0.3712 0.5 10 1 0.6288 0.7027 0.5 11 1 0.2973 0.6288 0.5 12 2 0.583 0.3375 0.0 13 2 0.6625 0.583 0.0 14 2 0.417 0.6625 0.0 15 3 0.0802 0.6615 0.7942 16 3 0.3385 0.0802 0.7942 17 3 0.9198 0.3385 0.7942 18 4 0.6447 0.453 0.0 19 4 0.547 0.6447 0.0 20 4 0.3553 0.547 0.0 21 5 0.1089 0.696 0.0 22 5 0.304 0.1089 0.0 23 5 0.8911 0.304 0.0 24 6 0.0543 0.3503 0.779 25 6 0.6497 0.0543 0.779 26 6 0.9457 0.6497 0.779 27 7 0.6203 0.2684 0.825 28 7 0.7316 0.6203 0.825 29 7 0.3797 0.7316 0.825 30 1 0.1288 0.2027 0.0 31 2 0.1625 0.083 0.5 32 3 0.8385 0.5802 0.2942 33 4 0.047 0.1447 0.5 34 5 0.804 0.6089 0.5 35 6 0.1497 0.5543 0.279 36 7 0.2316 0.1203 0.325 37 8 0.0 0.0 0.0 38 1 0.7973 0.1288 0.0 39 1 0.8712 0.7973 0.0 40 1 0.2027 0.8712 0.0 41 2 0.917 0.1625 0.5 42 2 0.8375 0.917 0.5 43 2 0.083 0.8375 0.5 44 3 0.4198 0.8385 0.2942 45 3 0.1615 0.4198 0.2942 46 3 0.5802 0.1615 0.2942 47 4 0.8553 0.047 0.5 48 4 0.953 0.8553 0.5 49 4 0.1447 0.953 0.5 50 5 0.3911 0.804 0.5 51 5 0.196 0.3911 0.5 52 5 0.6089 0.196 0.5 53 6 0.4457 0.1497 0.279 54 6 0.8503 0.4457 0.279 55 6 0.5543 0.8503 0.279 56 7 0.8797 0.2316 0.325 57 7 0.7684 0.8797 0.325 58 7 0.1203 0.7684 0.325 59 3 0.6615 0.9198 0.2058 60 6 0.3503 0.9457 0.221 61 7 0.2684 0.3797 0.175 62 3 0.0802 0.6615 0.2058 63 3 0.3385 0.0802 0.2058 64 3 0.9198 0.3385 0.2058 65 6 0.0543 0.3503 0.221 66 6 0.6497 0.0543 0.221 67 6 0.9457 0.6497 0.221 68 7 0.6203 0.2684 0.175 69 7 0.7316 0.6203 0.175 70 7 0.3797 0.7316 0.175 71 3 0.8385 0.5802 0.7058 72 6 0.1497 0.5543 0.721 73 7 0.2316 0.1203 0.675 74 3 0.4198 0.8385 0.7058 75 3 0.1615 0.4198 0.7058 76 3 0.5802 0.1615 0.7058 77 6 0.4457 0.1497 0.721 78 6 0.8503 0.4457 0.721 79 6 0.5543 0.8503 0.721 80 7 0.8797 0.2316 0.675 81 7 0.7684 0.8797 0.675 82 7 0.1203 0.7684 0.675 X-ray density (g/cm cub.) = 2.52 MU (1/cm) = 90.685 Mass attenuation coefficient (cm**2/g) = 35.977 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na 3.348 9 2.9296 7 2.9171 8 3.0403 7 2.4139 5 3.1385 5 2.611 6 2.9296 7 3.0403 7 2.611 6 2 Si 2.64 4 1.5906 4 1.6296 7 1.5938 4 1.6296 7 3 Si ,Al 2.856 4 1.6467 5 1.644 6 1.6473 6 1.6533 7 4 O 3.804 10 2.6194 7 2.6135 4 3.696 4 2.6135 4 3.4976 5 2.6438 7 3.2684 6 2.6194 7 2.6438 7 3.2684 6 5 O 3.804 9 3.4976 4 2.6515 6 3.571 7 2.7651 6 2.6104 7 2.6515 6 3.571 7 2.7651 6 2.6104 7 6 O 3.804 9 2.6515 5 2.6479 7 3.2684 4 2.7651 5 3.3373 6 2.682 7 2.7703 6 2.7703 6 3.6138 7 7 O 3.804 9 2.6194 4 2.6438 4 3.571 5 2.6479 6 2.6104 5 2.6426 7 2.682 6 3.3779 7 3.6138 6 8 Cl 4.344 20 4.2032 4 4.2032 4 4.0088 7 4.2032 4 4.2032 4 4.2032 4 4.2032 4 4.2032 4 4.2032 4 4.0088 7 4.0088 7 4.0088 7 3.9223 5 3.9223 5 3.9223 5 3.9223 5 4.0088 7 4.0088 7 4.0088 7 4.0088 7 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 1 0 5.145 10.291 0.058 245.69 4 36.6 105.9 2 1 0 1 6.899 13.798 0.078 135.65 8 45.0 177.2 3 2 0 0 7.286 14.573 0.082 121.38 4 18.0 12.6 4 1 2 1 10.06 20.121 0.113 62.63 8 27.3 30.2 5 2 1 1 10.06 20.121 0.113 62.63 8 12.4 6.2 6 2 2 0 10.333 20.666 0.116 59.26 4 85.4 139.4 7 1 3 0 11.568 23.137 0.13 46.85 4 74.3 83.3 8 3 1 0 11.568 23.137 0.13 46.85 4 187.6 531.4 9 0 0 2 11.773 23.546 0.132 45.16 2 18.2 2.4 10 3 0 1 12.467 24.934 0.14 40.05 8 94.7 231.7 11 1 1 2 12.878 25.756 0.145 37.4 8 203.1 994.5 12 2 0 2 13.901 27.802 0.156 31.81 8 3.2 0.2 13 2 3 1 14.5 28.999 0.163 29.08 8 187.6 659.7 14 3 2 1 14.5 28.999 0.163 29.08 8 10.3 2.0 15 4 0 0 14.694 29.389 0.165 28.26 4 183.0 305.2 16 3 3 0 15.608 31.215 0.175 24.83 4 80.2 51.5 17 2 2 2 15.763 31.527 0.176 24.31 8 41.1 26.4 18 1 4 1 16.3 32.6 0.182 22.61 8 100.3 146.6 19 4 1 1 16.3 32.6 0.182 22.61 8 3.4 0.2 20 2 4 0 16.475 32.951 0.184 22.1 4 98.0 68.5 21 4 2 0 16.475 32.951 0.184 22.1 4 14.7 1.5 22 1 3 2 16.624 33.248 0.186 21.67 8 48.5 32.9 23 3 1 2 16.624 33.248 0.186 21.67 8 143.1 286.2 24 1 0 3 18.213 36.427 0.203 17.75 8 24.7 7.0 25 1 5 0 18.866 37.732 0.21 16.43 4 26.6 3.7 26 5 1 0 18.866 37.732 0.21 16.43 4 48.0 12.2 27 4 0 2 18.998 37.996 0.211 16.18 8 24.2 6.1 28 3 4 1 19.456 38.912 0.216 15.35 8 73.7 53.8 29 4 3 1 19.456 38.912 0.216 15.35 8 65.2 42.0 30 5 0 1 19.456 38.912 0.216 15.35 8 11.7 1.4 31 1 2 3 19.713 39.426 0.219 14.91 8 22.7 4.9 32 2 1 3 19.713 39.426 0.219 14.91 8 1.5 0.0 33 3 3 2 19.735 39.469 0.219 14.87 8 40.9 16.0 34 2 4 2 20.449 40.898 0.227 13.74 8 12.0 1.3 35 4 2 2 20.449 40.898 0.227 13.74 8 63.5 35.7 36 2 5 1 20.88 41.76 0.231 13.11 8 13.6 1.6 37 5 2 1 20.88 41.76 0.231 13.11 8 29.4 7.3 38 4 4 0 21.022 42.045 0.233 12.92 4 35.5 5.3 39 3 0 3 21.123 42.245 0.234 12.78 8 82.1 55.6 40 3 5 0 21.702 43.403 0.24 12.03 4 67.6 17.7 41 5 3 0 21.702 43.403 0.24 12.03 4 2.1 0.0 42 6 0 0 22.364 44.728 0.247 11.24 4 5.4 0.1 43 2 3 3 22.46 44.919 0.248 11.13 8 26.0 4.8 44 3 2 3 22.46 44.919 0.248 11.13 8 78.5 44.2 45 1 5 2 22.479 44.958 0.248 11.11 8 30.6 6.7 46 5 1 2 22.479 44.958 0.248 11.11 8 22.6 3.7 47 1 6 1 23.516 47.032 0.259 10.03 8 14.7 1.4 48 6 1 1 23.516 47.032 0.259 10.03 8 98.7 63.0 49 2 6 0 23.645 47.291 0.26 9.91 4 117.7 44.2 50 6 2 0 23.645 47.291 0.26 9.91 4 167.9 90.1 51 1 4 3 23.737 47.474 0.261 9.82 8 129.9 106.9 52 4 1 3 23.737 47.474 0.261 9.82 8 59.5 22.4 53 0 0 4 24.084 48.168 0.265 9.5 2 248.5 94.6 54 4 4 2 24.374 48.749 0.268 9.25 8 11.7 0.8 55 1 1 4 24.697 49.393 0.271 8.98 8 8.5 0.4 56 4 5 1 24.751 49.502 0.272 8.93 8 29.1 4.9 57 5 4 1 24.751 49.502 0.272 8.93 8 9.8 0.6 58 3 5 2 24.982 49.963 0.274 8.74 8 84.6 40.4 59 5 3 2 24.982 49.963 0.274 8.74 8 60.2 20.4 60 2 0 4 25.298 50.596 0.277 8.5 8 16.6 1.5 61 6 0 2 25.578 51.157 0.28 8.29 8 28.5 4.4 62 3 6 1 25.942 51.884 0.284 8.02 8 81.7 34.5 63 6 3 1 25.942 51.884 0.284 8.02 8 46.0 10.9 64 3 4 3 26.148 52.296 0.286 7.88 8 28.2 4.1 65 4 3 3 26.148 52.296 0.286 7.88 8 13.2 0.9 66 5 0 3 26.148 52.296 0.286 7.88 8 51.6 13.5 67 2 2 4 26.472 52.943 0.289 7.66 8 31.5 4.9 68 1 7 0 26.642 53.284 0.291 7.55 4 89.1 19.3 69 5 5 0 26.642 53.284 0.291 7.55 4 6.7 0.1 70 7 1 0 26.642 53.284 0.291 7.55 4 101.2 24.9 71 2 6 2 26.743 53.486 0.292 7.49 8 42.6 8.8 72 6 2 2 26.743 53.486 0.292 7.49 8 13.7 0.9 73 1 3 4 27.045 54.089 0.295 7.3 8 5.8 0.2 74 3 1 4 27.045 54.089 0.295 7.3 8 26.8 3.4 75 7 0 1 27.096 54.192 0.296 7.27 8 11.6 0.6 76 4 6 0 27.213 54.425 0.297 7.2 4 60.2 8.4 77 6 4 0 27.213 54.425 0.297 7.2 4 31.9 2.4 78 2 5 3 27.295 54.591 0.298 7.15 8 64.5 19.2 79 5 2 3 27.295 54.591 0.298 7.15 8 24.9 2.9 80 2 7 1 28.217 56.433 0.307 6.63 8 71.9 22.1 81 7 2 1 28.217 56.433 0.307 6.63 8 18.9 1.5 82 4 0 4 28.717 57.434 0.312 6.37 8 78.9 25.6 83 3 7 0 28.879 57.757 0.313 6.29 4 12.6 0.3 84 7 3 0 28.879 57.757 0.313 6.29 4 67.7 9.3 85 3 3 4 29.261 58.522 0.317 6.11 8 15.7 1.0 86 1 6 3 29.499 58.998 0.32 6.0 8 79.3 24.3 87 6 1 3 29.499 58.998 0.32 6.0 8 74.4 21.4 88 1 7 2 29.515 59.03 0.32 5.99 8 29.1 3.3 89 5 5 2 29.515 59.03 0.32 5.99 8 20.5 1.6 90 7 1 2 29.515 59.03 0.32 5.99 8 48.9 9.2 91 2 4 4 29.798 59.596 0.323 5.86 8 11.6 0.5 92 4 2 4 29.798 59.596 0.323 5.86 8 20.3 1.6 93 4 6 2 30.05 60.099 0.325 5.75 8 0.8 0.0 94 6 4 2 30.05 60.099 0.325 5.75 8 35.9 4.8 95 5 6 1 30.377 60.754 0.328 5.61 8 38.9 5.5 96 6 5 1 30.377 60.754 0.328 5.61 8 22.1 1.8 97 8 0 0 30.486 60.971 0.329 5.57 4 41.7 3.1 98 4 5 3 30.563 61.125 0.33 5.54 8 8.2 0.2 99 5 4 3 30.563 61.125 0.33 5.54 8 108.6 42.1 100 1 0 5 30.932 61.864 0.334 5.39 8 19.7 1.4 101 1 5 4 31.376 62.753 0.338 5.23 8 28.4 2.7 102 5 1 4 31.376 62.753 0.338 5.23 8 40.8 5.6 103 1 8 1 31.423 62.846 0.338 5.21 8 2.7 0.0 104 4 7 1 31.423 62.846 0.338 5.21 8 38.7 5.0 105 7 4 1 31.423 62.846 0.338 5.21 8 31.7 3.4 106 8 1 1 31.423 62.846 0.338 5.21 8 18.8 1.2 107 2 8 0 31.529 63.059 0.339 5.17 4 37.2 2.3 108 8 2 0 31.529 63.059 0.339 5.17 4 33.6 1.9 109 3 6 3 31.605 63.21 0.34 5.14 8 21.1 1.5 110 6 3 3 31.605 63.21 0.34 5.14 8 41.3 5.6 111 3 7 2 31.62 63.241 0.34 5.14 8 104.8 36.4 112 7 3 2 31.62 63.241 0.34 5.14 8 88.8 26.1 113 1 2 5 31.967 63.935 0.344 5.02 8 75.9 18.6 114 2 1 5 31.967 63.935 0.344 5.02 8 3.1 0.0 115 6 6 0 32.554 65.108 0.349 4.82 4 156.9 38.3 116 7 0 3 32.628 65.257 0.35 4.8 8 84.8 22.3 117 4 4 4 32.911 65.822 0.353 4.71 8 21.4 1.4 118 3 0 5 32.985 65.969 0.353 4.69 8 105.1 33.4 119 5 7 0 33.06 66.12 0.354 4.67 4 50.8 3.9 120 7 5 0 33.06 66.12 0.354 4.67 4 54.9 4.5 121 8 0 2 33.149 66.298 0.355 4.64 8 13.8 0.6 122 3 5 4 33.414 66.828 0.357 4.56 8 19.3 1.1 123 5 3 4 33.414 66.828 0.357 4.56 8 22.3 1.5 124 3 8 1 33.459 66.918 0.358 4.55 8 36.3 3.9 125 8 3 1 33.459 66.918 0.358 4.55 8 8.5 0.2 126 2 7 3 33.635 67.27 0.36 4.5 8 88.3 22.6 127 7 2 3 33.635 67.27 0.36 4.5 8 20.6 1.2 128 6 0 4 33.914 67.827 0.362 4.42 8 20.8 1.2 129 2 3 5 33.986 67.972 0.363 4.4 8 135.6 52.2 130 3 2 5 33.986 67.972 0.363 4.4 8 12.4 0.4 131 2 8 2 34.148 68.296 0.364 4.36 8 111.2 34.8 132 8 2 2 34.148 68.296 0.364 4.36 8 119.7 40.3 133 4 8 0 34.555 69.111 0.368 4.25 4 82.9 9.4 134 8 4 0 34.555 69.111 0.368 4.25 4 82.3 9.3 135 2 6 4 34.902 69.804 0.371 4.17 8 36.5 3.6 136 6 2 4 34.902 69.804 0.371 4.17 8 94.5 24.0 137 1 4 5 34.974 69.948 0.372 4.15 8 25.2 1.7 138 4 1 5 34.974 69.948 0.372 4.15 8 18.5 0.9 139 1 9 0 35.047 70.094 0.373 4.13 4 123.1 20.2 140 9 1 0 35.047 70.094 0.373 4.13 4 24.5 0.8 141 6 6 2 35.133 70.267 0.374 4.11 8 35.6 3.4 142 9 0 1 35.435 70.871 0.376 4.04 8 52.4 7.1 143 5 6 3 35.607 71.214 0.378 4.0 8 80.2 16.6 144 6 5 3 35.607 71.214 0.378 4.0 8 40.0 4.1 145 5 7 2 35.621 71.243 0.378 4.0 8 64.3 10.7 146 7 5 2 35.621 71.243 0.378 4.0 8 44.3 5.1 147 2 9 1 36.405 72.811 0.385 3.84 8 13.7 0.5 148 6 7 1 36.405 72.811 0.385 3.84 8 30.7 2.3 149 7 6 1 36.405 72.811 0.385 3.84 8 52.7 6.9 150 9 2 1 36.405 72.811 0.385 3.84 8 56.6 7.9 151 1 8 3 36.575 73.15 0.387 3.8 8 26.8 1.8 152 4 7 3 36.575 73.15 0.387 3.8 8 43.0 4.5 153 7 4 3 36.575 73.15 0.387 3.8 8 12.3 0.4 154 8 1 3 36.575 73.15 0.387 3.8 8 40.9 4.1 155 3 4 5 36.914 73.827 0.39 3.74 8 37.1 3.3 156 4 3 5 36.914 73.827 0.39 3.74 8 83.4 16.8 157 5 0 5 36.914 73.827 0.39 3.74 8 45.7 5.0 158 3 9 0 36.985 73.971 0.391 3.72 4 2.6 0.0 159 9 3 0 36.985 73.971 0.391 3.72 4 32.4 1.3 160 4 8 2 37.07 74.139 0.391 3.71 8 4.6 0.1 161 8 4 2 37.07 74.139 0.391 3.71 8 9.7 0.2 162 1 7 4 37.322 74.645 0.394 3.66 8 52.5 6.5 163 5 5 4 37.322 74.645 0.394 3.66 8 9.5 0.2 164 7 1 4 37.322 74.645 0.394 3.66 8 34.4 2.8 165 5 8 1 37.365 74.731 0.394 3.65 8 13.1 0.4 166 8 5 1 37.365 74.731 0.394 3.65 8 24.3 1.4 167 1 9 2 37.548 75.095 0.396 3.62 8 78.0 14.2 168 9 1 2 37.548 75.095 0.396 3.62 8 72.2 12.2 169 0 0 6 37.742 75.485 0.397 3.59 2 119.4 8.2 170 4 6 4 37.799 75.598 0.398 3.58 8 22.6 1.2 171 6 4 4 37.799 75.598 0.398 3.58 8 1.1 0.0 172 2 5 5 37.869 75.737 0.398 3.57 8 12.8 0.4 173 5 2 5 37.869 75.737 0.398 3.57 8 11.6 0.3 174 1 1 6 38.217 76.435 0.402 3.51 8 37.2 3.1 175 3 8 3 38.483 76.966 0.404 3.47 8 0.2 0.0 176 8 3 3 38.483 76.966 0.404 3.47 8 13.1 0.4 177 2 0 6 38.69 77.381 0.406 3.44 8 14.1 0.4 178 7 7 0 38.886 77.773 0.408 3.41 4 22.4 0.5 179 3 7 4 39.218 78.436 0.41 3.36 8 41.1 3.7 180 7 3 4 39.218 78.436 0.41 3.36 8 39.9 3.4 181 4 9 1 39.26 78.521 0.411 3.35 8 10.4 0.2 182 9 4 1 39.26 78.521 0.411 3.35 8 35.0 2.6 183 6 8 0 39.357 78.714 0.412 3.34 4 30.5 1.0 184 8 6 0 39.357 78.714 0.412 3.34 4 37.2 1.5 185 10 0 0 39.357 78.714 0.412 3.34 4 37.9 1.5 186 3 9 2 39.44 78.88 0.412 3.33 8 10.6 0.2 187 9 3 2 39.44 78.88 0.412 3.33 8 43.2 4.0 188 2 2 6 39.632 79.263 0.414 3.3 8 11.5 0.3 189 1 6 5 39.756 79.512 0.415 3.29 8 46.4 4.6 190 6 1 5 39.756 79.512 0.415 3.29 8 90.8 17.5 191 1 3 6 40.1 80.2 0.418 3.24 8 59.3 7.3 192 3 1 6 40.1 80.2 0.418 3.24 8 17.5 0.6 193 1 10 1 40.198 80.396 0.419 3.23 8 27.7 1.6 194 10 1 1 40.198 80.396 0.419 3.23 8 12.2 0.3 195 2 10 0 40.294 80.588 0.42 3.22 4 36.7 1.4 196 10 2 0 40.294 80.588 0.42 3.22 4 54.8 3.1 197 9 0 3 40.362 80.725 0.42 3.21 8 44.7 4.1 198 8 0 4 40.623 81.246 0.423 3.18 8 41.7 3.6 199 4 5 5 40.691 81.382 0.423 3.17 8 5.4 0.1 200 5 4 5 40.691 81.382 0.423 3.17 8 60.2 7.4 201 5 9 0 40.761 81.521 0.424 3.16 4 91.4 8.5 202 9 5 0 40.761 81.521 0.424 3.16 4 62.2 3.9 203 2 9 3 41.294 82.588 0.428 3.11 8 19.4 0.8 204 6 7 3 41.294 82.588 0.428 3.11 8 46.3 4.3 205 7 6 3 41.294 82.588 0.428 3.11 8 36.8 2.7 206 9 2 3 41.294 82.588 0.428 3.11 8 28.5 1.6 207 7 7 2 41.308 82.616 0.428 3.11 8 84.6 14.3 208 4 0 6 41.498 82.995 0.43 3.09 8 32.9 2.2 209 2 8 4 41.553 83.106 0.431 3.08 8 26.4 1.4 210 8 2 4 41.553 83.106 0.431 3.08 8 6.7 0.1 211 3 6 5 41.621 83.242 0.431 3.07 8 70.1 9.7 212 6 3 5 41.621 83.242 0.431 3.07 8 67.3 9.0 213 6 8 2 41.772 83.544 0.432 3.06 8 9.8 0.2 214 8 6 2 41.772 83.544 0.432 3.06 8 63.7 8.0 215 10 0 2 41.772 83.544 0.432 3.06 8 34.7 2.4 216 3 3 6 41.961 83.923 0.434 3.04 8 1.6 0.0 217 3 10 1 42.058 84.117 0.435 3.03 8 23.8 1.1 218 10 3 1 42.058 84.117 0.435 3.03 8 3.4 0.0 219 5 8 3 42.222 84.443 0.436 3.02 8 51.7 5.2 220 8 5 3 42.222 84.443 0.436 3.02 8 56.5 6.2 221 2 4 6 42.424 84.849 0.438 3.0 8 12.6 0.3 222 4 2 6 42.424 84.849 0.438 3.0 8 24.8 1.2 223 6 6 4 42.48 84.96 0.438 3.0 8 82.1 13.0 224 7 0 5 42.547 85.095 0.439 2.99 8 63.4 7.8 225 2 10 2 42.698 85.396 0.44 2.98 8 21.7 0.9 226 10 2 2 42.698 85.396 0.44 2.98 8 1.7 0.0 227 5 7 4 42.942 85.884 0.442 2.96 8 14.9 0.4 228 7 5 4 42.942 85.884 0.442 2.96 8 17.1 0.6 229 7 8 1 42.984 85.967 0.443 2.96 8 23.1 1.0 230 8 7 1 42.984 85.967 0.443 2.96 8 7.6 0.1 231 4 10 0 43.079 86.158 0.443 2.95 4 35.3 1.2 232 10 4 0 43.079 86.158 0.443 2.95 4 5.0 0.0 233 5 9 2 43.16 86.32 0.444 2.94 8 52.5 5.2 234 9 5 2 43.16 86.32 0.444 2.94 8 32.3 2.0 235 2 7 5 43.471 86.943 0.447 2.92 8 39.0 2.9 236 7 2 5 43.471 86.943 0.447 2.92 8 4.6 0.0 237 1 5 6 43.81 87.62 0.449 2.9 8 8.2 0.1 238 5 1 6 43.81 87.62 0.449 2.9 8 14.1 0.4 239 6 9 1 43.907 87.813 0.45 2.89 8 0.1 0.0 240 9 6 1 43.907 87.813 0.45 2.89 8 38.1 2.7 241 4 9 3 44.069 88.138 0.451 2.88 8 16.5 0.5 242 9 4 3 44.069 88.138 0.451 2.88 8 3.5 0.0 243 4 8 4 44.326 88.653 0.454 2.86 8 43.0 3.4 244 8 4 4 44.326 88.653 0.454 2.86 8 35.4 2.3 245 1 11 0 44.463 88.925 0.455 2.86 4 27.0 0.7 246 11 1 0 44.463 88.925 0.455 2.86 4 1.9 0.0 247 1 9 4 44.787 89.575 0.457 2.84 8 39.3 2.8 248 9 1 4 44.787 89.575 0.457 2.84 8 37.4 2.6 249 11 0 1 44.829 89.657 0.458 2.84 8 1.6 0.0 250 1 10 3 44.991 89.982 0.459 2.83 8 5.3 0.1 251 10 1 3 44.991 89.982 0.459 2.83 8 83.8 12.8 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 1 0 5.145 10.291 8.58894 105.9 10.6 10.8 5.6 2 1 0 1 6.899 13.798 6.41249 177.2 17.8 18.0 5.6 3 2 0 0 7.286 14.573 6.0733 12.6 1.3 1.3 5.6 4 1 2 1 10.06 20.121 4.40951 36.4 3.7 3.7 5.6 5 2 2 0 10.333 20.666 4.29447 139.4 14.0 14.1 5.6 6 3 1 0 11.568 23.137 3.84109 614.8 61.8 61.9 5.6 7 3 0 1 12.467 24.934 3.56821 231.7 23.3 23.3 5.6 8 1 1 2 12.878 25.756 3.45608 994.5 100.0 100.0 5.6 9 2 3 1 14.5 28.999 3.07652 661.6 66.5 66.4 5.6 10 4 0 0 14.694 29.389 3.03665 305.2 30.7 30.6 5.6 11 3 3 0 15.608 31.215 2.86298 51.5 5.2 5.2 5.6 12 2 2 2 15.763 31.527 2.83538 26.4 2.7 2.6 5.6 13 1 4 1 16.3 32.6 2.74448 146.8 14.8 14.7 5.6 14 2 4 0 16.475 32.951 2.71606 70.0 7.0 7.0 5.6 15 3 1 2 16.624 33.248 2.69246 319.1 32.1 31.9 5.6 16 5 1 0 18.866 37.732 2.38214 15.9 1.6 1.6 5.7 17 3 4 1 19.456 38.912 2.31257 97.1 9.8 9.7 5.7 18 3 3 2 19.735 39.469 2.28119 21.0 2.1 2.1 5.7 19 4 2 2 20.449 40.898 2.20475 37.0 3.7 3.7 5.7 20 3 0 3 21.123 42.245 2.1375 55.6 5.6 5.5 5.7 21 3 5 0 21.702 43.403 2.08312 17.8 1.8 1.8 5.7 22 1 5 2 22.479 44.958 2.0146 59.4 6.0 5.9 5.7 23 6 1 1 23.516 47.032 1.93051 64.4 6.5 6.4 5.7 24 6 2 0 23.645 47.291 1.92055 134.3 13.5 13.2 5.7 25 1 4 3 23.737 47.474 1.91357 129.3 13.0 12.7 5.7 26 0 0 4 24.084 48.168 1.8876 94.6 9.5 9.3 5.7 27 3 5 2 24.982 49.963 1.82389 60.8 6.1 6.0 5.7 28 3 6 1 25.942 51.884 1.76078 45.5 4.6 4.5 5.8 29 5 0 3 26.148 52.296 1.7479 18.4 1.9 1.8 5.8 30 7 1 0 26.642 53.284 1.71779 44.4 4.5 4.3 5.8 31 4 6 0 27.213 54.425 1.68443 10.8 1.1 1.1 5.8 32 2 5 3 27.295 54.591 1.67972 22.0 2.2 2.2 5.8 33 2 7 1 28.217 56.433 1.62916 23.6 2.4 2.3 5.8 34 4 0 4 28.717 57.434 1.60312 25.6 2.6 2.5 5.8 35 1 6 3 29.499 58.998 1.56431 59.8 6.0 5.8 5.8 36 5 4 3 30.563 61.125 1.51487 42.1 4.2 4.1 5.8 37 7 3 2 31.62 63.241 1.46919 69.7 7.0 6.7 5.9 38 1 2 5 31.967 63.935 1.45491 18.7 1.9 1.8 5.9 39 6 6 0 32.554 65.108 1.43149 38.3 3.8 3.7 5.9 40 7 0 3 32.628 65.257 1.42859 22.3 2.2 2.1 5.9 41 3 0 5 32.985 65.969 1.41488 33.4 3.4 3.2 5.9 42 2 7 3 33.635 67.27 1.39064 23.8 2.4 2.3 5.9 43 2 3 5 33.986 67.972 1.37798 52.7 5.3 5.0 5.9 44 8 2 2 34.148 68.296 1.37224 75.1 7.5 7.2 5.9 45 4 8 0 34.555 69.111 1.35803 18.7 1.9 1.8 5.9 46 6 2 4 34.902 69.804 1.34623 27.6 2.8 2.6 5.9 47 1 9 0 35.047 70.094 1.34137 21.0 2.1 2.0 5.9 48 5 6 3 35.607 71.214 1.323 36.4 3.7 3.5 5.9 49 9 2 1 36.405 72.811 1.29787 17.1 1.7 1.6 6.0 50 8 1 3 36.575 73.15 1.29269 10.7 1.1 1.0 6.0 51 5 0 5 36.914 73.827 1.2825 25.1 2.5 2.4 6.0 52 1 9 2 37.548 75.095 1.26395 26.4 2.7 2.5 6.0 53 6 1 5 39.756 79.512 1.20446 22.0 2.2 2.1 6.0 54 5 9 0 40.761 81.521 1.17978 12.5 1.3 1.2 6.1 55 7 7 2 41.308 82.616 1.16691 22.9 2.3 2.1 6.1 56 3 6 5 41.621 83.242 1.15971 18.7 1.9 1.7 6.1 57 8 6 2 41.772 83.544 1.15628 10.4 1.0 1.0 6.1 58 8 5 3 42.222 84.443 1.14625 11.4 1.1 1.1 6.1 59 6 6 4 42.48 84.96 1.1406 13.0 1.3 1.2 6.1 60 10 1 3 44.991 89.982 1.08951 12.8 1.3 1.2 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) |