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 *** *********************** NEPHELINE 14, at 908'C, f-feldspathoid, sf-nepheline, DF Na(5.64)Ca(0.36)K(1.32)Al(7.93)Si(8.07)O(32) Hexagonal P 6(3) Z = 1 R =0.107 NR =490 23 .6 .1993 Ref.Str.: Foreman N., Peacor D.R. (1970) * Z. Kristallogr., 132, 45-70 Reserv: S.O.L. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.2 alpha = 90.0 b = 10.2 beta = 90.0 c = 8.49 gamma = 120.0 Unit cell volume (cub. angs.) = 764.96 Molar volume ( cub.cm/mol.) = 460.76 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.4447 0.9934 0.004 6.5 Na = 0.99, Ca = 0.01 2 0.0 0.0 0.0247 17.1 K = 0.78, K = 0.0 3 0.6667 0.3333 0.1951 1.6 Si = 0.3 , Al = 0.7 4 0.6667 0.3333 0.8134 5.8 Si = 0.86, Al = 0.14 5 0.334 0.1049 0.3095 2.7 Si = 0.92, Al = 0.08 6 0.3344 0.1048 0.684 2.3 Si = 0.18, Al = 0.82 7 0.6886 0.3113 0.022 8.3 O = 0.33, O = 0.0 8 0.3226 0.0489 0.5007 5.2 O = 1.00 9 0.5159 0.18 0.7446 4.6 O = 1.00 10 0.513 0.1757 0.2537 7.7 O = 1.00 11 0.2887 0.2423 0.3067 5.5 O = 1.00 12 0.2682 0.2233 0.7065 4.1 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.4447 0.9934 0.004 2 2 0.0 0.0 0.0247 3 3 0.6667 0.3333 0.1951 4 4 0.6667 0.3333 0.8134 5 5 0.334 0.1049 0.3095 6 6 0.3344 0.1048 0.684 7 7 0.6886 0.3113 0.022 8 8 0.3226 0.0489 0.5007 9 9 0.5159 0.18 0.7446 10 10 0.513 0.1757 0.2537 11 11 0.2887 0.2423 0.3067 12 12 0.2682 0.2233 0.7065 13 1 0.0066 0.4513 0.004 14 1 0.5487 0.5553 0.004 15 5 0.8951 0.2291 0.3095 16 5 0.7709 0.666 0.3095 17 6 0.8952 0.2296 0.684 18 6 0.7704 0.6656 0.684 19 7 0.6887 0.3773 0.022 20 7 0.6227 0.3114 0.022 21 8 0.9511 0.2737 0.5007 22 8 0.7263 0.6774 0.5007 23 9 0.82 0.3359 0.7446 24 9 0.6641 0.4841 0.7446 25 10 0.8243 0.3373 0.2537 26 10 0.6627 0.487 0.2537 27 11 0.7577 0.0464 0.3067 28 11 0.9536 0.7113 0.3067 29 12 0.7767 0.0449 0.7065 30 12 0.9551 0.7318 0.7065 31 1 0.5553 0.0066 0.504 32 2 0.0 0.0 0.5247 33 3 0.3333 0.6667 0.6951 34 4 0.3333 0.6667 0.3134 35 5 0.666 0.8951 0.8095 36 6 0.6656 0.8952 0.184 37 7 0.3114 0.6887 0.522 38 8 0.6774 0.9511 0.0007 39 9 0.4841 0.82 0.2446 40 10 0.487 0.8243 0.7537 41 11 0.7113 0.7577 0.8067 42 12 0.7318 0.7767 0.2065 43 1 0.9934 0.5487 0.504 44 1 0.4513 0.4447 0.504 45 5 0.1049 0.7709 0.8095 46 5 0.2291 0.334 0.8095 47 6 0.1048 0.7704 0.184 48 6 0.2296 0.3344 0.184 49 7 0.3113 0.6227 0.522 50 7 0.3773 0.6886 0.522 51 8 0.0489 0.7263 0.0007 52 8 0.2737 0.3226 0.0007 53 9 0.18 0.6641 0.2446 54 9 0.3359 0.5159 0.2446 55 10 0.1757 0.6627 0.7537 56 10 0.3373 0.513 0.7537 57 11 0.2423 0.9536 0.8067 58 11 0.0464 0.2887 0.8067 59 12 0.2233 0.9551 0.2065 60 12 0.0449 0.2682 0.2065 X-ray density (g/cm cub.) = 2.5 MU (1/cm) = 94.56 Mass attenuation coefficient (cm**2/g) = 37.778 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na ,Ca 2.88 7 2.7601 9 2.6724 10 2.8199 7 2.6162 8 2.8589 9 2.5288 11 2.7067 12 2 K ,K 3.228 6 3.0784 8 2.9703 12 3.0783 8 3.0784 8 2.9703 12 2.9704 12 3 Si ,Al 2.316 6 1.5201 7 1.6641 10 1.5201 7 1.5201 7 1.6641 10 1.6641 10 4 Si ,Al 2.316 6 1.8131 7 1.6574 9 1.8131 7 1.8131 7 1.6574 9 1.6574 9 5 Si ,Al 2.316 4 1.7054 8 1.6616 10 1.681 11 1.6275 12 6 Si ,Al 2.316 4 1.641 8 1.6913 9 1.6642 12 1.7021 11 7 O ,O 3.264 8 2.8433 9 2.5521 10 0.6726 7 0.6726 7 2.6589 9 3.0259 9 2.3428 10 2.7612 10 8 O 3.264 6 2.7068 9 2.7074 10 2.7214 11 2.7408 12 2.7511 11 2.6853 12 9 O 3.264 8 2.8433 7 2.7068 8 2.7927 12 3.0259 7 2.6589 7 2.6865 9 2.6865 9 2.6371 11 10 O 3.264 8 2.5521 7 2.7074 8 2.7299 11 2.7612 7 2.3428 7 2.7505 10 2.7505 10 2.703 12 11 O 3.264 6 2.7214 8 2.7299 10 2.7512 8 2.6371 9 2.7921 12 2.7631 12 12 O 3.264 6 2.7408 8 2.7927 9 2.6853 8 2.7031 10 2.7629 11 2.7923 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 0 5.003 10.005 0.057 260.04 6 3.3 2.9 2 1 0 1 7.229 14.458 0.082 123.34 12 3.0 2.3 3 1 1 0 8.687 17.374 0.098 84.74 6 18.9 30.9 4 2 0 0 10.044 20.088 0.113 62.84 6 55.9 201.4 5 1 1 1 10.148 20.296 0.114 61.51 12 18.0 40.9 6 0 0 2 10.455 20.909 0.118 57.83 2 143.5 407.3 7 2 0 1 11.338 22.675 0.128 48.86 12 79.9 639.0 8 1 0 2 11.614 23.228 0.131 46.46 12 13.6 17.6 9 1 2 0 13.339 26.678 0.15 34.72 6 87.2 270.4 10 2 1 0 13.339 26.678 0.15 34.72 6 51.9 96.1 11 1 1 2 13.656 27.312 0.153 33.04 12 8.7 5.1 12 1 2 1 14.354 28.708 0.161 29.72 12 15.1 13.9 13 2 1 1 14.354 28.708 0.161 29.72 12 33.4 68.1 14 2 0 2 14.577 29.154 0.163 28.75 12 108.9 699.8 15 3 0 0 15.165 30.33 0.17 26.42 6 86.2 201.2 16 3 0 1 16.075 32.149 0.18 23.3 12 8.3 3.3 17 1 0 3 16.607 33.215 0.186 21.72 12 7.5 2.5 18 1 2 2 17.069 34.138 0.191 20.46 12 43.9 80.9 19 2 1 2 17.069 34.138 0.191 20.46 12 28.4 33.9 20 2 2 0 17.582 35.164 0.196 19.18 6 88.3 153.4 21 1 1 3 18.136 36.273 0.202 17.92 12 16.3 9.8 22 1 3 0 18.325 36.65 0.204 17.52 6 3.8 0.3 23 3 1 0 18.325 36.65 0.204 17.52 6 63.5 72.3 24 2 2 1 18.385 36.77 0.205 17.39 12 14.7 7.8 25 3 0 2 18.565 37.129 0.207 17.02 12 7.3 1.9 26 2 0 3 18.86 37.721 0.21 16.44 12 91.4 281.3 27 1 3 1 19.101 38.202 0.212 15.99 12 58.1 110.7 28 3 1 1 19.101 38.202 0.212 15.99 12 38.9 49.6 29 4 0 0 20.414 40.828 0.226 13.79 6 34.1 16.4 30 2 2 2 20.633 41.266 0.229 13.47 12 6.7 1.2 31 1 2 3 20.904 41.808 0.232 13.08 12 22.3 13.3 32 2 1 3 20.904 41.808 0.232 13.08 12 26.5 18.8 33 4 0 1 21.125 42.25 0.234 12.78 12 20.0 10.4 34 0 0 4 21.279 42.558 0.236 12.57 2 128.4 70.9 35 1 3 2 21.285 42.57 0.236 12.56 12 37.4 35.9 36 3 1 2 21.285 42.57 0.236 12.56 12 19.3 9.6 37 1 0 4 21.916 43.831 0.242 11.76 12 15.6 5.9 38 3 0 3 22.18 44.36 0.245 11.45 12 4.9 0.6 39 2 3 0 22.34 44.679 0.247 11.27 6 56.2 36.5 40 3 2 0 22.34 44.679 0.247 11.27 6 9.0 0.9 41 2 3 1 23.003 46.006 0.254 10.55 12 16.4 5.8 42 3 2 1 23.003 46.006 0.254 10.55 12 45.3 44.5 43 1 1 4 23.147 46.293 0.255 10.4 12 2.0 0.1 44 4 0 2 23.152 46.305 0.255 10.39 12 22.8 11.1 45 1 4 0 23.553 47.107 0.259 10.0 6 33.9 11.8 46 4 1 0 23.553 47.107 0.259 10.0 6 2.1 0.0 47 2 0 4 23.743 47.487 0.261 9.82 12 17.4 6.1 48 2 2 3 23.992 47.984 0.264 9.59 12 2.5 0.1 49 1 4 1 24.191 48.381 0.266 9.41 12 4.1 0.3 50 4 1 1 24.191 48.381 0.266 9.41 12 12.4 2.9 51 1 3 3 24.573 49.146 0.27 9.08 12 14.1 3.7 52 3 1 3 24.573 49.146 0.27 9.08 12 7.5 1.1 53 2 3 2 24.91 49.819 0.273 8.8 12 38.7 27.1 54 3 2 2 24.91 49.819 0.273 8.8 12 5.9 0.6 55 1 2 4 25.47 50.94 0.279 8.37 12 22.9 9.0 56 2 1 4 25.47 50.94 0.279 8.37 12 11.5 2.3 57 5 0 0 25.849 51.698 0.283 8.09 6 39.0 12.6 58 1 4 2 26.032 52.064 0.285 7.96 12 26.5 11.4 59 4 1 2 26.032 52.064 0.285 7.96 12 5.5 0.5 60 4 0 3 26.259 52.518 0.287 7.81 12 44.7 32.0 61 5 0 1 26.445 52.89 0.289 7.68 12 44.7 31.5 62 3 0 4 26.575 53.15 0.29 7.6 12 12.6 2.5 63 3 3 0 26.943 53.886 0.294 7.36 6 38.1 11.0 64 2 4 0 27.479 54.958 0.3 7.04 6 28.4 5.8 65 4 2 0 27.479 54.958 0.3 7.04 6 44.3 14.1 66 1 0 5 27.513 55.025 0.3 7.02 12 4.4 0.3 67 3 3 1 27.523 55.045 0.3 7.01 12 12.5 2.3 68 2 3 3 27.872 55.744 0.303 6.82 12 17.6 4.3 69 3 2 3 27.872 55.744 0.303 6.82 12 52.5 38.5 70 2 4 1 28.051 56.102 0.305 6.72 12 15.2 3.2 71 4 2 1 28.051 56.102 0.305 6.72 12 15.9 3.5 72 2 2 4 28.176 56.351 0.306 6.65 12 4.2 0.2 73 5 0 2 28.181 56.361 0.307 6.65 12 33.4 15.2 74 1 1 5 28.563 57.126 0.31 6.45 12 20.4 5.5 75 1 3 4 28.696 57.392 0.312 6.38 12 14.1 2.6 76 3 1 4 28.696 57.392 0.312 6.38 12 7.2 0.7 77 1 4 3 28.914 57.828 0.314 6.27 12 49.7 31.8 78 4 1 3 28.914 57.828 0.314 6.27 12 44.4 25.4 79 1 5 0 29.046 58.092 0.315 6.21 6 23.8 3.6 80 5 1 0 29.046 58.092 0.315 6.21 6 59.0 22.2 81 2 0 5 29.079 58.157 0.315 6.19 12 85.3 92.4 82 3 3 2 29.215 58.43 0.317 6.13 12 22.0 6.1 83 1 5 1 29.598 59.196 0.321 5.95 12 19.6 4.7 84 5 1 1 29.598 59.196 0.321 5.95 12 28.8 10.1 85 2 4 2 29.724 59.447 0.322 5.89 12 8.6 0.9 86 4 2 2 29.724 59.447 0.322 5.89 12 31.5 12.0 87 4 0 4 30.222 60.445 0.327 5.68 12 21.5 5.4 88 1 2 5 30.593 61.186 0.33 5.53 12 8.7 0.9 89 2 1 5 30.593 61.186 0.33 5.53 12 14.1 2.2 90 5 0 3 30.93 61.859 0.334 5.39 12 45.8 23.3 91 1 5 2 31.219 62.438 0.336 5.28 12 29.4 9.3 92 5 1 2 31.219 62.438 0.336 5.28 12 33.2 11.9 93 6 0 0 31.547 63.095 0.34 5.16 6 25.3 3.4 94 3 0 5 31.578 63.157 0.34 5.15 12 7.0 0.5 95 2 3 4 31.704 63.407 0.341 5.11 12 10.7 1.2 96 3 2 4 31.704 63.407 0.341 5.11 12 13.5 1.9 97 3 3 3 31.909 63.818 0.343 5.04 12 70.5 51.3 98 3 4 0 32.034 64.067 0.344 4.99 6 10.2 0.5 99 4 3 0 32.034 64.067 0.344 4.99 6 2.6 0.0 100 6 0 1 32.074 64.147 0.345 4.98 12 10.4 1.1 101 2 4 3 32.393 64.785 0.348 4.88 12 9.7 0.9 102 4 2 3 32.393 64.785 0.348 4.88 12 8.5 0.7 103 3 4 1 32.556 65.112 0.349 4.82 12 13.3 1.7 104 4 3 1 32.556 65.112 0.349 4.82 12 17.8 3.1 105 1 4 4 32.67 65.34 0.35 4.79 12 8.0 0.6 106 4 1 4 32.67 65.34 0.35 4.79 12 4.8 0.2 107 0 0 6 32.981 65.963 0.353 4.69 2 77.8 9.7 108 2 5 0 32.995 65.99 0.353 4.69 6 73.1 25.7 109 5 2 0 32.995 65.99 0.353 4.69 6 98.8 46.9 110 2 2 5 33.025 66.051 0.354 4.68 12 10.1 1.0 111 1 0 6 33.457 66.914 0.358 4.55 12 6.6 0.4 112 1 3 5 33.5 67.001 0.358 4.54 12 47.9 21.4 113 3 1 5 33.5 67.001 0.358 4.54 12 26.0 6.3 114 2 5 1 33.509 67.019 0.358 4.53 12 5.8 0.3 115 5 2 1 33.509 67.019 0.358 4.53 12 1.4 0.0 116 6 0 2 33.626 67.253 0.359 4.5 12 14.1 1.8 117 1 5 3 33.821 67.642 0.361 4.45 12 3.6 0.1 118 5 1 3 33.821 67.642 0.361 4.45 12 27.1 6.7 119 3 4 2 34.097 68.194 0.364 4.37 12 28.5 7.3 120 4 3 2 34.097 68.194 0.364 4.37 12 4.9 0.2 121 1 1 6 34.398 68.795 0.367 4.29 12 23.2 4.8 122 5 0 4 34.56 69.121 0.368 4.25 12 2.3 0.0 123 2 0 6 34.863 69.727 0.371 4.18 12 14.7 1.9 124 1 6 0 34.877 69.753 0.371 4.17 6 0.5 0.0 125 6 1 0 34.877 69.753 0.371 4.17 6 21.9 2.1 126 4 0 5 34.906 69.812 0.371 4.17 12 32.7 9.1 127 2 5 2 35.03 70.059 0.373 4.14 12 28.5 6.9 128 5 2 2 35.03 70.059 0.373 4.14 12 46.4 18.2 129 1 6 1 35.378 70.755 0.376 4.06 12 4.2 0.1 130 6 1 1 35.378 70.755 0.376 4.06 12 10.4 0.9 131 3 3 4 35.488 70.975 0.377 4.03 12 9.2 0.7 132 2 4 4 35.947 71.894 0.381 3.93 12 11.8 1.1 133 4 2 4 35.947 71.894 0.381 3.93 12 9.1 0.7 134 6 0 3 36.14 72.281 0.383 3.89 12 7.9 0.5 135 1 2 6 36.245 72.49 0.384 3.87 12 17.1 2.3 136 2 1 6 36.245 72.49 0.384 3.87 12 7.4 0.4 137 2 3 5 36.287 72.574 0.384 3.86 12 19.5 3.0 138 3 2 5 36.287 72.574 0.384 3.86 12 54.0 23.1 139 3 4 3 36.597 73.193 0.387 3.8 12 30.6 7.3 140 4 3 3 36.597 73.193 0.387 3.8 12 23.3 4.2 141 1 6 2 36.864 73.727 0.389 3.75 12 7.4 0.4 142 6 1 2 36.864 73.727 0.389 3.75 12 25.3 4.9 143 3 0 6 37.154 74.308 0.392 3.69 12 27.0 5.5 144 4 4 0 37.167 74.334 0.392 3.69 6 8.2 0.3 145 1 4 5 37.196 74.392 0.392 3.68 12 20.9 3.3 146 4 1 5 37.196 74.392 0.392 3.68 12 12.8 1.2 147 1 5 4 37.312 74.624 0.393 3.66 12 14.1 1.5 148 5 1 4 37.312 74.624 0.393 3.66 12 9.9 0.7 149 2 5 3 37.503 75.005 0.395 3.63 12 14.1 1.5 150 5 2 3 37.503 75.005 0.395 3.63 12 4.4 0.1 151 3 5 0 37.619 75.237 0.396 3.61 6 48.7 8.8 152 5 3 0 37.619 75.237 0.396 3.61 6 47.8 8.5 153 7 0 0 37.619 75.237 0.396 3.61 6 33.6 4.2 154 4 4 1 37.656 75.312 0.397 3.6 12 13.3 1.3 155 3 5 1 38.105 76.21 0.401 3.53 12 13.2 1.3 156 5 3 1 38.105 76.21 0.401 3.53 12 20.9 3.2 157 7 0 1 38.105 76.21 0.401 3.53 12 24.4 4.3 158 2 2 6 38.503 77.007 0.404 3.46 12 41.8 12.4 159 1 3 6 38.95 77.9 0.408 3.4 12 35.0 8.6 160 3 1 6 38.95 77.9 0.408 3.4 12 36.0 9.0 161 2 6 0 38.962 77.925 0.408 3.39 6 18.0 1.1 162 6 2 0 38.962 77.925 0.408 3.39 6 25.1 2.2 163 5 0 5 38.991 77.981 0.408 3.39 12 52.7 19.3 164 4 4 2 39.109 78.219 0.409 3.37 12 3.4 0.1 165 1 6 3 39.293 78.586 0.411 3.35 12 10.3 0.7 166 6 1 3 39.293 78.586 0.411 3.35 12 6.1 0.3 167 2 6 1 39.444 78.888 0.412 3.33 12 10.1 0.7 168 6 2 1 39.444 78.888 0.412 3.33 12 8.2 0.5 169 6 0 4 39.55 79.099 0.413 3.31 12 13.7 1.3 170 3 5 2 39.554 79.108 0.413 3.31 12 24.5 4.1 171 5 3 2 39.554 79.108 0.413 3.31 12 47.4 15.2 172 7 0 2 39.554 79.108 0.413 3.31 12 41.4 11.6 173 1 0 7 39.87 79.741 0.416 3.27 12 4.9 0.2 174 3 3 5 39.879 79.758 0.416 3.27 12 38.6 10.0 175 3 4 4 39.993 79.985 0.417 3.26 12 11.7 0.9 176 4 3 4 39.993 79.985 0.417 3.26 12 5.3 0.2 177 4 0 6 40.28 80.561 0.42 3.22 12 2.2 0.0 178 2 4 5 40.321 80.642 0.42 3.22 12 16.0 1.7 179 4 2 5 40.321 80.642 0.42 3.22 12 8.3 0.5 180 1 1 7 40.754 81.507 0.424 3.17 12 3.0 0.1 181 2 5 4 40.875 81.75 0.425 3.15 12 9.4 0.6 182 5 2 4 40.875 81.75 0.425 3.15 12 15.3 1.5 183 2 6 2 40.879 81.759 0.425 3.15 12 6.8 0.3 184 6 2 2 40.879 81.759 0.425 3.15 12 14.5 1.4 185 1 7 0 41.174 82.348 0.427 3.12 6 10.0 0.3 186 7 1 0 41.174 82.348 0.427 3.12 6 2.9 0.0 187 2 0 7 41.194 82.387 0.428 3.12 12 22.5 3.2 188 4 4 3 41.5 83.001 0.43 3.09 12 33.7 7.2 189 2 3 6 41.601 83.201 0.431 3.08 12 12.7 1.0 190 3 2 6 41.601 83.201 0.431 3.08 12 12.8 1.0 191 1 5 5 41.641 83.282 0.431 3.07 12 16.5 1.7 192 5 1 5 41.641 83.282 0.431 3.07 12 32.2 6.5 193 1 7 1 41.649 83.299 0.431 3.07 12 2.8 0.0 194 7 1 1 41.649 83.299 0.431 3.07 12 3.1 0.1 195 3 5 3 41.939 83.878 0.434 3.04 12 13.9 1.2 196 5 3 3 41.939 83.878 0.434 3.04 12 1.8 0.0 197 7 0 3 41.939 83.878 0.434 3.04 12 46.4 13.4 198 1 4 6 42.477 84.953 0.438 3.0 12 10.8 0.7 199 4 1 6 42.477 84.953 0.438 3.0 12 7.1 0.3 200 1 2 7 42.509 85.017 0.439 2.99 12 9.6 0.6 201 2 1 7 42.509 85.017 0.439 2.99 12 7.9 0.4 202 1 6 4 42.629 85.259 0.44 2.98 12 10.6 0.7 203 6 1 4 42.629 85.259 0.44 2.98 12 4.0 0.1 204 4 5 0 42.926 85.852 0.442 2.96 6 7.6 0.2 205 5 4 0 42.926 85.852 0.442 2.96 6 19.9 1.2 206 1 7 2 43.07 86.141 0.443 2.95 12 17.0 1.7 207 7 1 2 43.07 86.141 0.443 2.95 12 3.4 0.1 208 2 6 3 43.251 86.501 0.445 2.94 12 11.7 0.8 209 6 2 3 43.251 86.501 0.445 2.94 12 7.8 0.4 210 3 0 7 43.382 86.765 0.446 2.93 12 1.6 0.0 211 4 5 1 43.399 86.798 0.446 2.92 12 7.0 0.3 212 5 4 1 43.399 86.798 0.446 2.92 12 13.2 1.0 213 3 6 0 43.799 87.598 0.449 2.9 6 7.7 0.2 214 6 3 0 43.799 87.598 0.449 2.9 6 6.8 0.1 215 6 0 5 43.827 87.654 0.449 2.9 12 11.2 0.7 216 5 0 6 44.223 88.445 0.453 2.87 12 12.2 0.9 217 8 0 0 44.235 88.47 0.453 2.87 6 3.3 0.0 218 3 4 5 44.263 88.525 0.453 2.87 12 21.6 2.7 219 4 3 5 44.263 88.525 0.453 2.87 12 23.5 3.2 220 3 6 1 44.271 88.542 0.453 2.87 12 9.3 0.5 221 6 3 1 44.271 88.542 0.453 2.87 12 5.1 0.2 222 2 2 7 44.69 89.38 0.457 2.84 12 4.1 0.1 223 8 0 1 44.707 89.413 0.457 2.84 12 3.7 0.1 224 4 4 4 44.81 89.621 0.457 2.84 12 6.3 0.2 225 4 5 2 44.815 89.629 0.458 2.84 12 5.2 0.2 226 5 4 2 44.815 89.629 0.458 2.84 12 24.3 3.4 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 8.687 17.374 5.1 30.9 4.4 4.5 5.6 2 2 0 0 10.044 20.088 4.41673 201.4 28.8 29.0 5.6 3 1 1 1 10.148 20.296 4.37185 40.9 5.8 5.9 5.6 4 0 0 2 10.455 20.909 4.245 407.3 58.2 58.6 5.6 5 2 0 1 11.338 22.675 3.91823 639.0 91.3 91.8 5.6 6 1 0 2 11.614 23.228 3.82613 17.6 2.5 2.5 5.6 7 1 2 0 13.339 26.678 3.33873 366.5 52.4 52.5 5.6 8 2 1 1 14.354 28.708 3.10711 82.0 11.7 11.7 5.6 9 2 0 2 14.577 29.154 3.06058 699.8 100.0 100.0 5.6 10 3 0 0 15.165 30.33 2.94449 201.2 28.7 28.7 5.6 11 1 2 2 17.069 34.138 2.62429 114.8 16.4 16.3 5.7 12 2 2 0 17.582 35.164 2.55 153.4 21.9 21.8 5.7 13 1 1 3 18.136 36.273 2.47455 9.8 1.4 1.4 5.7 14 3 1 0 18.325 36.65 2.44996 72.3 10.3 10.3 5.7 15 2 2 1 18.385 36.77 2.44222 7.8 1.1 1.1 5.7 16 2 0 3 18.86 37.721 2.38282 281.3 40.2 39.9 5.7 17 1 3 1 19.101 38.202 2.35391 160.2 22.9 22.7 5.7 18 4 0 0 20.414 40.828 2.20836 16.4 2.4 2.3 5.7 19 2 1 3 20.904 41.808 2.15881 32.1 4.6 4.5 5.7 20 4 0 1 21.125 42.25 2.13725 10.4 1.5 1.5 5.7 21 0 0 4 21.279 42.558 2.1225 116.4 16.6 16.4 5.7 22 2 3 0 22.34 44.679 2.02653 37.5 5.4 5.3 5.7 23 3 2 1 23.003 46.006 1.97116 50.3 7.2 7.1 5.7 24 4 0 2 23.152 46.305 1.95912 11.1 1.6 1.6 5.7 25 1 4 0 23.553 47.107 1.92762 11.8 1.7 1.7 5.7 26 2 3 2 24.91 49.819 1.82882 27.7 4.0 3.9 5.7 27 1 2 4 25.47 50.94 1.79119 11.2 1.6 1.6 5.8 28 5 0 0 25.849 51.698 1.76669 12.6 1.8 1.8 5.8 29 1 4 2 26.032 52.064 1.75514 11.9 1.7 1.7 5.8 30 4 0 3 26.259 52.518 1.74101 32.0 4.6 4.5 5.8 31 5 0 1 26.445 52.89 1.72964 31.5 4.5 4.4 5.8 32 3 3 0 26.943 53.886 1.7 11.0 1.6 1.5 5.8 33 4 2 0 27.479 54.958 1.66937 20.0 2.9 2.8 5.8 34 3 2 3 27.872 55.744 1.64765 42.8 6.1 5.9 5.8 35 5 0 2 28.181 56.361 1.63107 15.2 2.2 2.1 5.8 36 1 4 3 28.914 57.828 1.59316 57.2 8.2 7.9 5.8 37 5 1 0 29.046 58.092 1.58654 25.8 3.7 3.6 5.8 38 2 0 5 29.079 58.157 1.58491 92.4 13.2 12.8 5.8 39 5 1 1 29.598 59.196 1.55954 14.8 2.1 2.0 5.8 40 4 2 2 29.724 59.447 1.55356 12.0 1.7 1.7 5.8 41 5 0 3 30.93 61.859 1.49864 23.3 3.3 3.2 5.8 42 5 1 2 31.219 62.438 1.48613 21.3 3.0 2.9 5.8 43 3 3 3 31.909 63.818 1.45728 51.3 7.3 7.0 5.9 44 5 2 0 32.995 65.99 1.41449 82.3 11.8 11.3 5.9 45 1 3 5 33.5 67.001 1.39558 28.0 4.0 3.8 5.9 46 3 4 2 34.097 68.194 1.37403 7.5 1.1 1.0 5.9 47 4 0 5 34.906 69.812 1.34609 13.0 1.9 1.8 5.9 48 5 2 2 35.03 70.059 1.34195 25.1 3.6 3.4 5.9 49 3 2 5 36.287 72.574 1.30152 26.1 3.7 3.5 6.0 50 3 4 3 36.597 73.193 1.29203 11.5 1.6 1.6 6.0 51 3 5 0 37.619 75.237 1.26192 21.4 3.1 2.9 6.0 52 7 0 1 38.105 76.21 1.24821 8.7 1.2 1.2 6.0 53 2 2 6 38.503 77.007 1.23728 12.4 1.8 1.7 6.0 54 3 1 6 38.95 77.9 1.22531 20.9 3.0 2.8 6.0 55 5 0 5 38.991 77.981 1.22423 19.3 2.8 2.6 6.0 56 7 0 2 39.554 79.108 1.20961 32.2 4.6 4.3 6.0 57 3 3 5 39.879 79.758 1.20137 10.0 1.4 1.3 6.0 58 4 4 3 41.5 83.001 1.16247 7.2 1.0 0.9 6.1 59 5 1 5 41.641 83.282 1.15925 8.4 1.2 1.1 6.1 60 7 0 3 41.939 83.878 1.15253 14.7 2.1 1.9 6.1 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) |