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 *** *********************** AMEGHINITE 1 NaB(3)O(3)(OH)(4) Monoclinic C 2/c Z = 4 R =0.038 NR =1024 4 .4 .1991 Ref.Str.: Negro A.D., Pozas J.M., Ungaretti L. (1975) * Amer. Mineral., 60, 879-883 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 18.428 alpha = 90.0 b = 9.882 beta = 104.38 c = 6.326 gamma = 90.0 Unit cell volume (cub. angs.) = 1115.91 Molar volume ( cub.cm/mol.) = 168.04 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.173 0.238 0.1032 1.64 Na = 1.00 2 0.5494 0.1575 0.4964 1.62 O = 1.00 3 0.3011 0.1606 0.215 1.29 O = 1.00 4 0.3058 0.1016 0.5929 1.35 O = 1.00 5 0.3986 0.5352 0.5164 1.61 O = 1.00 6 0.4701 0.3401 0.4812 1.48 O = 1.00 7 0.3437 0.3196 0.499 1.5 O = 1.00 8 0.4194 0.1177 0.48 1.26 O = 1.00 9 0.3412 0.1716 0.4414 1.07 B = 1.00 10 0.4028 0.3987 0.4959 1.14 B = 1.00 11 0.4778 0.1994 0.4828 1.12 B = 1.00 12 0.561 0.059 0.505 3.0 H = 1.00 13 0.303 0.065 0.171 3.0 H = 1.00 14 0.252 0.13 0.56 3.0 H = 1.00 15 0.447 0.581 0.517 3.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.173 0.238 0.1032 2 2 0.5494 0.1575 0.4964 3 3 0.3011 0.1606 0.215 4 4 0.3058 0.1016 0.5929 5 5 0.3986 0.5352 0.5164 6 6 0.4701 0.3401 0.4812 7 7 0.3437 0.3196 0.499 8 8 0.4194 0.1177 0.48 9 9 0.3412 0.1716 0.4414 10 10 0.4028 0.3987 0.4959 11 11 0.4778 0.1994 0.4828 12 12 0.561 0.059 0.505 13 13 0.303 0.065 0.171 14 14 0.252 0.13 0.56 15 15 0.447 0.581 0.517 16 1 0.827 0.762 0.8968 17 2 0.4506 0.8425 0.5036 18 3 0.6989 0.8394 0.785 19 4 0.6942 0.8984 0.4071 20 5 0.6014 0.4648 0.4836 21 6 0.5299 0.6599 0.5188 22 7 0.6563 0.6804 0.501 23 8 0.5806 0.8823 0.52 24 9 0.6588 0.8284 0.5586 25 10 0.5972 0.6013 0.5041 26 11 0.5222 0.8006 0.5172 27 12 0.439 0.941 0.495 28 13 0.697 0.935 0.829 29 14 0.748 0.87 0.44 30 15 0.553 0.419 0.483 31 1 0.173 0.762 0.6032 32 2 0.5494 0.8425 0.9964 33 3 0.3011 0.8394 0.715 34 4 0.3058 0.8984 0.0929 35 5 0.3986 0.4648 0.0164 36 6 0.4701 0.6599 0.9812 37 7 0.3437 0.6804 0.999 38 8 0.4194 0.8823 0.98 39 9 0.3412 0.8284 0.9414 40 10 0.4028 0.6013 0.9959 41 11 0.4778 0.8006 0.9828 42 12 0.561 0.941 0.005 43 13 0.303 0.935 0.671 44 14 0.252 0.87 0.06 45 15 0.447 0.419 0.017 46 1 0.827 0.238 0.3968 47 2 0.4506 0.1575 0.0036 48 3 0.6989 0.1606 0.285 49 4 0.6942 0.1016 0.9071 50 5 0.6014 0.5352 0.9836 51 6 0.5299 0.3401 0.0188 52 7 0.6563 0.3196 0.001 53 8 0.5806 0.1177 0.02 54 9 0.6588 0.1716 0.0586 55 10 0.5972 0.3987 0.0041 56 11 0.5222 0.1994 0.0172 57 12 0.439 0.059 0.995 58 13 0.697 0.065 0.329 59 14 0.748 0.13 0.94 60 15 0.553 0.581 0.983 61 1 0.673 0.262 0.6032 62 2 0.0494 0.3425 0.9964 63 3 0.8011 0.3394 0.715 64 4 0.8058 0.3984 0.0929 65 5 0.8986 0.9648 0.0164 66 6 0.9701 0.1599 0.9812 67 7 0.8437 0.1804 0.999 68 8 0.9194 0.3823 0.98 69 9 0.8412 0.3284 0.9414 70 10 0.9028 0.1013 0.9959 71 11 0.9778 0.3006 0.9828 72 12 0.061 0.441 0.005 73 13 0.803 0.435 0.671 74 14 0.752 0.37 0.06 75 15 0.947 0.919 0.017 76 1 0.327 0.738 0.3968 77 2 0.9506 0.6575 0.0036 78 3 0.1989 0.6606 0.285 79 4 0.1942 0.6016 0.9071 80 5 0.1014 0.0352 0.9836 81 6 0.0299 0.8401 0.0188 82 7 0.1563 0.8196 0.001 83 8 0.0806 0.6177 0.02 84 9 0.1588 0.6716 0.0586 85 10 0.0972 0.8987 0.0041 86 11 0.0222 0.6994 0.0172 87 12 0.939 0.559 0.995 88 13 0.197 0.565 0.329 89 14 0.248 0.63 0.94 90 15 0.053 0.081 0.983 91 1 0.673 0.738 0.1032 92 2 0.0494 0.6575 0.4964 93 3 0.8011 0.6606 0.215 94 4 0.8058 0.6016 0.5929 95 5 0.8986 0.0352 0.5164 96 6 0.9701 0.8401 0.4812 97 7 0.8437 0.8196 0.499 98 8 0.9194 0.6177 0.48 99 9 0.8412 0.6716 0.4414 100 10 0.9028 0.8987 0.4959 101 11 0.9778 0.6994 0.4828 102 12 0.061 0.559 0.505 103 13 0.803 0.565 0.171 104 14 0.752 0.63 0.56 105 15 0.947 0.081 0.517 106 1 0.327 0.262 0.8968 107 2 0.9506 0.3425 0.5036 108 3 0.1989 0.3394 0.785 109 4 0.1942 0.3984 0.4071 110 5 0.1014 0.9648 0.4836 111 6 0.0299 0.1599 0.5188 112 7 0.1563 0.1804 0.501 113 8 0.0806 0.3823 0.52 114 9 0.1588 0.3284 0.5586 115 10 0.0972 0.1013 0.5041 116 11 0.0222 0.3006 0.5172 117 12 0.939 0.441 0.495 118 13 0.197 0.435 0.829 119 14 0.248 0.37 0.44 120 15 0.053 0.919 0.483 X-ray density (g/cm cub.) = 2.04 MU (1/cm) = 24.505 Mass attenuation coefficient (cm**2/g) = 12.011 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Na 2.808 6 2.4142 3 2.4385 2 2.4153 5 2.4002 3 2.447 4 2.6713 7 2 O 3.264 7 2.3089 6 2.4044 8 3.1914 5 2.776 8 3.196 2 3.242 8 3.2293 8 3 O 3.264 4 2.4412 4 2.369 7 2.4346 8 2.7113 4 4 O 3.264 5 2.4412 3 2.3849 7 2.3792 8 2.7113 3 2.7819 7 5 O 3.264 7 2.3767 6 2.3494 7 3.1914 2 2.712 6 3.2386 5 3.2386 5 3.1584 6 6 O 3.264 6 2.3089 2 2.3767 5 2.3685 7 2.3874 8 2.712 5 3.1584 5 7 O 3.264 6 2.369 3 2.3849 4 2.3494 5 2.3685 6 2.4545 8 2.7819 4 8 O 3.264 8 2.4044 2 2.4346 3 2.3792 4 2.3874 6 2.4545 7 2.776 2 3.242 2 3.2293 2 9 B 1.872 4 1.4434 3 1.4605 4 1.5052 7 1.4984 8 10 B 1.872 3 1.3592 5 1.3926 6 1.3447 7 11 B 1.872 3 1.3651 2 1.3974 6 1.342 8 12 H 1.632 1 0.9952 2 13 H 1.632 1 0.9879 3 14 H 1.632 1 1.0013 4 15 H 1.632 1 0.9993 5 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 2 0 0 4.951 9.902 0.056 265.54 2 21.4 19.5 2 1 1 0 5.112 10.223 0.058 248.98 4 0.4 0.0 3 1 1 -1 8.341 16.682 0.094 92.09 4 41.5 50.9 4 3 1 0 8.691 17.383 0.098 84.65 4 27.2 20.1 5 0 2 0 8.969 17.937 0.101 79.36 2 133.5 227.2 6 1 1 1 9.357 18.714 0.106 72.74 4 57.5 77.1 7 4 0 0 9.939 19.879 0.112 64.21 2 61.5 39.1 8 3 1 -1 10.067 20.133 0.113 62.55 4 27.5 15.2 9 2 2 0 10.264 20.529 0.116 60.08 4 30.0 17.3 10 0 2 1 11.552 23.104 0.13 46.98 4 35.7 19.2 11 2 2 -1 11.849 23.699 0.133 44.55 4 34.2 16.7 12 3 1 1 12.483 24.965 0.14 39.94 4 62.7 50.4 13 5 1 0 13.262 26.524 0.149 35.15 4 96.7 105.5 14 2 2 1 13.302 26.605 0.149 34.93 4 13.9 2.2 15 4 2 0 13.449 26.899 0.151 34.12 4 30.5 10.2 16 5 1 -1 13.558 27.116 0.152 33.55 4 0.3 0.0 17 1 3 0 13.756 27.512 0.154 32.53 4 68.2 48.7 18 4 2 -1 14.072 28.145 0.158 31.0 4 44.8 20.0 19 2 0 -2 14.164 28.328 0.159 30.57 2 177.6 154.9 20 0 0 2 14.561 29.121 0.163 28.82 2 308.9 441.7 21 1 1 -2 14.858 29.716 0.166 27.6 4 63.8 36.1 22 6 0 0 15.005 30.011 0.168 27.03 2 83.5 30.2 23 1 3 -1 15.303 30.605 0.171 25.91 4 57.5 27.5 24 3 1 -2 15.327 30.655 0.172 25.82 4 86.3 61.8 25 3 3 0 15.503 31.006 0.173 25.2 4 18.7 2.8 26 4 0 -2 15.503 31.006 0.174 25.2 2 57.3 13.3 27 1 3 1 15.899 31.797 0.178 23.87 4 94.5 68.5 28 1 1 2 16.06 32.12 0.18 23.35 4 14.1 1.5 29 3 3 -1 16.341 32.682 0.183 22.49 4 13.0 1.2 30 4 2 1 16.501 33.002 0.184 22.02 4 46.0 14.9 31 2 0 2 16.58 33.161 0.185 21.79 2 101.2 35.8 32 5 1 1 16.629 33.259 0.186 21.65 4 2.7 0.0 33 2 2 -2 16.866 33.732 0.188 21.0 4 92.2 57.3 34 0 2 2 17.207 34.413 0.192 20.1 4 31.8 6.5 35 5 1 -2 17.346 34.692 0.194 19.75 4 14.0 1.2 36 6 2 -1 17.555 35.109 0.196 19.24 4 40.5 10.1 37 6 2 0 17.591 35.182 0.196 19.16 4 154.0 145.9 38 7 1 -1 17.879 35.759 0.199 18.49 4 23.9 3.4 39 3 3 1 17.984 35.968 0.2 18.25 4 36.7 7.9 40 4 2 -2 18.025 36.05 0.201 18.16 4 27.7 4.5 41 0 4 0 18.167 36.334 0.202 17.85 2 105.3 31.8 42 7 1 0 18.177 36.354 0.202 17.83 4 79.0 35.7 43 6 0 -2 18.234 36.468 0.203 17.71 2 42.6 5.2 44 5 3 0 18.552 37.105 0.207 17.05 4 14.5 1.2 45 3 1 2 18.644 37.289 0.208 16.86 4 0.4 0.0 46 5 3 -1 18.773 37.545 0.209 16.61 4 26.6 3.8 47 2 4 0 18.876 37.751 0.21 16.41 4 39.0 8.0 48 2 2 2 18.976 37.951 0.211 16.22 4 49.3 12.7 49 0 4 1 19.644 39.288 0.218 15.02 4 58.7 16.7 50 1 3 -2 19.766 39.531 0.22 14.82 4 4.6 0.1 51 4 0 2 19.783 39.565 0.22 14.79 2 57.4 7.8 52 2 4 -1 19.83 39.659 0.22 14.71 4 32.0 4.8 53 3 3 -2 20.134 40.267 0.223 14.22 4 62.8 18.0 54 8 0 0 20.195 40.389 0.224 14.13 2 150.1 51.1 55 6 2 -2 20.462 40.924 0.227 13.72 4 103.9 47.6 56 7 1 -2 20.514 41.027 0.227 13.64 4 67.8 20.2 57 6 2 1 20.557 41.115 0.228 13.58 4 16.2 1.1 58 1 3 2 20.717 41.433 0.23 13.35 4 58.9 14.9 59 2 4 1 20.778 41.557 0.23 13.26 4 107.7 49.4 60 4 4 0 20.878 41.756 0.231 13.12 4 39.7 6.6 61 5 3 1 21.177 42.355 0.234 12.7 4 18.2 1.3 62 7 1 1 21.302 42.604 0.236 12.54 4 26.5 2.8 63 4 4 -1 21.307 42.613 0.236 12.53 4 26.8 2.9 64 5 3 -2 21.765 43.53 0.241 11.95 4 86.7 28.8 65 8 2 -1 21.784 43.568 0.241 11.92 4 65.4 16.4 66 4 2 2 21.878 43.756 0.242 11.81 4 82.1 25.6 67 8 0 -2 21.912 43.824 0.242 11.77 2 54.0 5.5 68 3 1 -3 22.038 44.077 0.244 11.62 4 76.3 21.7 69 1 1 -3 22.143 44.285 0.245 11.49 4 81.3 24.4 70 5 1 2 22.201 44.402 0.245 11.43 4 6.9 0.2 71 7 3 -1 22.208 44.416 0.245 11.42 4 28.5 3.0 72 8 2 0 22.258 44.516 0.246 11.36 4 55.8 11.4 73 7 3 0 22.458 44.915 0.248 11.13 4 98.3 34.6 74 9 1 -1 22.662 45.324 0.25 10.91 4 4.5 0.1 75 3 3 2 22.851 45.703 0.252 10.71 4 29.7 3.0 76 4 4 1 23.073 46.145 0.254 10.47 4 27.2 2.5 77 1 5 0 23.087 46.173 0.255 10.46 4 38.2 4.9 78 5 1 -3 23.139 46.279 0.255 10.41 4 37.7 4.7 79 9 1 0 23.335 46.67 0.257 10.21 4 41.9 5.8 80 2 4 -2 23.35 46.7 0.257 10.19 4 12.7 0.5 81 2 2 -3 23.405 46.811 0.258 10.14 4 49.7 8.0 82 1 1 3 23.44 46.879 0.258 10.11 4 70.4 16.1 83 0 4 2 23.611 47.222 0.26 9.94 4 56.2 10.1 84 6 0 2 23.778 47.557 0.262 9.78 2 11.4 0.2 85 8 2 -2 23.856 47.712 0.263 9.71 4 32.7 3.3 86 6 4 -1 23.88 47.76 0.263 9.69 4 56.4 9.9 87 4 2 -3 23.887 47.775 0.263 9.68 4 15.7 0.8 88 6 4 0 23.908 47.817 0.263 9.66 4 48.8 7.4 89 0 2 3 24.083 48.166 0.265 9.5 4 38.6 4.6 90 1 5 -1 24.11 48.22 0.265 9.48 4 53.6 8.7 91 3 5 0 24.247 48.495 0.267 9.36 4 68.0 13.9 92 4 4 -2 24.247 48.495 0.267 9.36 4 96.1 27.8 93 7 3 -2 24.457 48.915 0.269 9.18 4 60.7 10.8 94 9 1 -2 24.473 48.945 0.269 9.16 4 25.5 1.9 95 1 5 1 24.522 49.043 0.269 9.12 4 110.4 35.7 96 3 5 -1 24.833 49.665 0.273 8.86 4 92.6 24.4 97 2 4 2 25.003 50.006 0.274 8.73 4 101.5 28.9 98 7 3 1 25.148 50.295 0.276 8.61 4 44.7 5.5 99 8 2 1 25.166 50.332 0.276 8.6 4 91.3 23.0 100 7 1 -3 25.323 50.646 0.278 8.48 4 26.6 1.9 101 6 2 -3 25.479 50.957 0.279 8.36 4 8.3 0.2 102 10 0 0 25.564 51.127 0.28 8.3 2 28.0 1.0 103 6 2 2 25.613 51.226 0.281 8.26 4 58.1 9.0 104 3 1 3 25.79 51.58 0.282 8.13 4 95.0 23.6 105 3 3 -3 25.798 51.597 0.282 8.13 4 30.3 2.4 106 2 2 3 25.851 51.702 0.283 8.09 4 22.0 1.3 107 1 3 -3 25.891 51.782 0.283 8.06 4 41.0 4.4 108 5 3 2 25.943 51.885 0.284 8.02 4 66.9 11.5 109 3 5 1 26.027 52.054 0.285 7.97 4 10.7 0.3 110 6 4 -2 26.214 52.428 0.287 7.84 4 72.9 13.4 111 10 0 -2 26.243 52.486 0.287 7.82 2 85.2 9.1 112 6 4 1 26.293 52.586 0.288 7.78 4 3.7 0.0 113 9 1 1 26.346 52.692 0.288 7.75 4 63.9 10.1 114 9 3 -1 26.354 52.708 0.288 7.74 4 44.9 5.0 115 7 1 2 26.439 52.878 0.289 7.69 4 13.0 0.4 116 5 5 0 26.454 52.907 0.289 7.68 4 9.4 0.2 117 10 2 -1 26.52 53.039 0.29 7.63 4 63.9 10.0 118 5 5 -1 26.621 53.241 0.291 7.57 4 96.4 22.6 119 5 3 -3 26.781 53.563 0.292 7.46 4 42.7 4.4 120 9 3 0 26.958 53.915 0.294 7.35 4 22.8 1.2 121 1 3 3 27.052 54.103 0.295 7.29 4 4.5 0.0 122 10 2 0 27.31 54.621 0.298 7.14 4 69.0 10.9 123 8 4 -1 27.319 54.638 0.298 7.13 4 23.6 1.3 124 1 5 -2 27.385 54.771 0.299 7.09 4 13.8 0.4 125 4 4 2 27.399 54.797 0.299 7.09 4 73.4 12.3 126 3 5 -2 27.673 55.346 0.301 6.93 4 34.5 2.6 127 8 4 0 27.721 55.443 0.302 6.9 4 41.8 3.9 128 11 1 -1 27.802 55.604 0.303 6.85 4 37.5 3.1 129 0 6 0 27.884 55.768 0.304 6.81 2 44.1 2.1 130 10 2 -2 27.96 55.92 0.304 6.77 4 122.0 32.3 131 9 3 -2 27.987 55.974 0.305 6.75 4 24.2 1.3 132 8 2 -3 28.043 56.085 0.305 6.72 4 103.0 22.9 133 1 5 2 28.134 56.269 0.306 6.67 4 35.4 2.7 134 8 0 2 28.35 56.699 0.308 6.56 2 82.8 7.2 135 2 6 0 28.397 56.795 0.309 6.53 4 46.9 4.6 136 9 1 -3 28.41 56.82 0.309 6.53 4 20.9 0.9 137 5 5 1 28.503 57.005 0.31 6.48 4 0.1 0.0 138 4 2 3 28.565 57.131 0.31 6.45 4 37.6 2.9 139 2 4 -3 28.706 57.412 0.312 6.38 4 36.7 2.8 140 11 1 0 28.752 57.504 0.312 6.35 4 0.6 0.0 141 7 3 -3 28.764 57.528 0.312 6.35 4 52.6 5.6 142 0 6 1 28.966 57.931 0.314 6.25 4 14.4 0.4 143 5 5 -2 28.978 57.955 0.314 6.24 4 2.1 0.0 144 5 1 3 29.014 58.028 0.315 6.22 4 89.2 15.9 145 11 1 -2 29.018 58.037 0.315 6.22 4 45.7 4.2 146 8 4 -2 29.097 58.194 0.316 6.18 4 41.7 3.5 147 2 6 -1 29.105 58.209 0.316 6.18 4 26.6 1.4 148 4 4 -3 29.124 58.249 0.316 6.17 4 9.4 0.2 149 3 3 3 29.193 58.385 0.317 6.14 4 7.7 0.1 150 2 0 -4 29.247 58.495 0.317 6.11 2 135.8 18.1 151 0 4 3 29.295 58.59 0.318 6.09 4 25.4 1.3 152 4 0 -4 29.3 58.601 0.318 6.09 2 28.3 0.8 153 7 5 -1 29.339 58.678 0.318 6.07 4 30.1 1.8 154 7 5 0 29.544 59.088 0.32 5.98 4 15.4 0.5 155 3 1 -4 29.556 59.112 0.32 5.97 4 44.5 3.8 156 9 3 1 29.705 59.41 0.322 5.9 4 85.2 13.8 157 7 3 2 29.791 59.582 0.323 5.86 4 11.4 0.2 158 2 6 1 29.826 59.651 0.323 5.85 4 3.2 0.0 159 3 5 2 29.869 59.738 0.323 5.83 4 54.8 5.6 160 4 6 0 29.902 59.804 0.324 5.82 4 29.3 1.6 161 8 2 2 29.986 59.972 0.324 5.78 4 41.3 3.2 162 1 1 -4 29.999 59.997 0.325 5.77 4 5.3 0.1 163 5 1 -4 30.103 60.206 0.326 5.73 4 5.8 0.1 164 0 0 4 30.186 60.372 0.326 5.69 2 111.5 11.4 165 10 2 1 30.215 60.429 0.327 5.68 4 37.9 2.6 166 4 6 -1 30.234 60.468 0.327 5.67 4 19.4 0.7 167 8 4 1 30.247 60.494 0.327 5.67 4 35.4 2.3 168 6 0 -4 30.342 60.684 0.328 5.63 2 34.6 1.1 169 6 4 -3 30.524 61.048 0.33 5.55 4 18.0 0.6 170 6 4 2 30.643 61.286 0.331 5.51 4 5.9 0.1 171 2 2 -4 30.854 61.708 0.333 5.42 4 64.1 7.2 172 2 4 3 30.855 61.711 0.333 5.42 4 51.0 4.5 173 4 2 -4 30.905 61.811 0.333 5.4 4 12.7 0.3 174 11 3 -1 31.058 62.115 0.335 5.35 4 35.6 2.2 175 12 0 -2 31.092 62.183 0.335 5.33 2 36.1 1.1 176 12 0 0 31.186 62.372 0.336 5.3 2 33.6 1.0 177 9 1 2 31.216 62.432 0.336 5.29 4 56.2 5.4 178 7 5 -2 31.217 62.435 0.336 5.29 4 20.5 0.7 179 1 1 4 31.405 62.81 0.338 5.22 4 21.4 0.8 180 10 2 -3 31.428 62.857 0.338 5.21 4 21.9 0.8 181 10 4 -1 31.453 62.906 0.339 5.2 4 31.0 1.6 182 7 1 -4 31.609 63.217 0.34 5.14 4 36.4 2.2 183 9 3 -3 31.626 63.253 0.34 5.14 4 12.0 0.2 184 4 6 1 31.635 63.269 0.34 5.13 4 20.2 0.7 185 12 2 -1 31.686 63.373 0.341 5.11 4 21.6 0.8 186 11 1 1 31.745 63.49 0.342 5.09 4 1.7 0.0 187 0 2 4 31.764 63.528 0.342 5.09 4 6.5 0.1 188 7 5 1 31.807 63.615 0.342 5.07 4 10.8 0.2 189 2 6 -2 31.859 63.718 0.343 5.05 4 35.5 2.0 190 6 2 -4 31.916 63.831 0.343 5.03 4 30.4 1.5 191 11 3 0 31.947 63.895 0.343 5.02 4 22.0 0.8 192 2 0 4 32.064 64.128 0.345 4.98 2 48.7 1.9 193 0 6 2 32.071 64.143 0.345 4.98 4 27.8 1.2 194 6 2 3 32.078 64.157 0.345 4.98 4 25.9 1.1 195 10 4 0 32.166 64.331 0.346 4.95 4 11.6 0.2 196 5 3 3 32.194 64.387 0.346 4.94 4 9.7 0.1 197 11 3 -2 32.198 64.395 0.346 4.94 4 18.9 0.6 198 11 1 -3 32.246 64.492 0.346 4.92 4 44.7 3.2 199 6 6 -1 32.292 64.583 0.347 4.91 4 22.2 0.8 200 6 6 0 32.315 64.629 0.347 4.9 4 11.2 0.2 201 8 0 -4 32.315 64.63 0.347 4.9 2 47.1 1.7 202 3 5 -3 32.369 64.737 0.348 4.88 4 42.5 2.8 203 1 5 -3 32.449 64.898 0.348 4.86 4 7.2 0.1 204 5 5 2 32.494 64.988 0.349 4.84 4 1.1 0.0 205 4 6 -2 32.594 65.187 0.35 4.81 4 28.1 1.2 206 12 2 -2 32.645 65.289 0.35 4.79 4 37.4 2.2 207 3 3 -4 32.704 65.409 0.351 4.78 4 4.2 0.0 208 12 2 0 32.736 65.473 0.351 4.77 4 25.9 1.0 209 10 4 -2 32.755 65.511 0.351 4.76 4 9.3 0.1 210 8 4 -3 32.83 65.661 0.352 4.74 4 25.6 1.0 211 9 5 -1 32.852 65.704 0.352 4.73 4 18.0 0.5 212 7 1 3 32.967 65.934 0.353 4.69 4 55.0 4.6 213 1 3 -4 33.122 66.245 0.355 4.65 4 38.5 2.2 214 1 7 0 33.185 66.369 0.355 4.63 4 18.0 0.5 215 2 6 2 33.221 66.442 0.356 4.62 4 67.3 6.7 216 5 3 -4 33.221 66.443 0.356 4.62 4 28.1 1.2 217 5 5 -3 33.226 66.452 0.356 4.62 4 18.0 0.5 218 13 1 -1 33.307 66.614 0.356 4.59 4 31.3 1.4 219 4 4 3 33.308 66.615 0.356 4.59 4 42.4 2.6 220 9 5 0 33.381 66.762 0.357 4.57 4 26.6 1.0 221 10 0 2 33.416 66.833 0.357 4.56 2 0.8 0.0 222 1 5 3 33.464 66.927 0.358 4.55 4 52.7 4.1 223 2 2 4 33.593 67.185 0.359 4.51 4 20.3 0.6 224 3 1 4 33.708 67.416 0.36 4.48 4 7.2 0.1 225 8 2 -4 33.838 67.676 0.361 4.44 4 24.2 0.8 226 1 7 -1 33.999 67.999 0.363 4.4 4 23.0 0.7 227 9 1 -4 34.002 68.004 0.363 4.4 4 39.0 2.2 228 13 1 -2 34.075 68.151 0.364 4.38 4 31.8 1.4 229 3 7 0 34.11 68.22 0.364 4.37 4 44.8 2.8 230 6 6 -2 34.243 68.486 0.365 4.33 4 24.0 0.8 231 9 3 2 34.278 68.557 0.366 4.33 4 14.7 0.3 232 9 5 -2 34.292 68.584 0.366 4.32 4 7.7 0.1 233 6 6 1 34.31 68.621 0.366 4.32 4 16.0 0.4 234 1 7 1 34.332 68.663 0.366 4.31 4 23.4 0.8 235 1 3 4 34.458 68.917 0.367 4.28 4 11.7 0.2 236 13 1 0 34.497 68.993 0.368 4.27 4 5.8 0.0 237 3 7 -1 34.585 69.169 0.368 4.25 4 9.2 0.1 238 8 4 2 34.615 69.231 0.369 4.24 4 0.6 0.0 239 7 3 -4 34.652 69.305 0.369 4.23 4 40.3 2.2 240 11 3 1 34.782 69.565 0.37 4.2 4 1.5 0.0 241 4 0 4 34.8 69.6 0.37 4.19 2 10.4 0.1 242 10 4 1 34.827 69.655 0.371 4.19 4 13.2 0.2 243 10 2 2 34.915 69.83 0.372 4.17 4 24.5 0.8 244 7 5 -3 34.986 69.973 0.372 4.15 4 42.3 2.4 245 10 0 -4 35.138 70.276 0.374 4.11 2 25.3 0.4 246 8 6 -1 35.192 70.385 0.374 4.1 4 23.2 0.7 247 4 6 2 35.261 70.523 0.375 4.08 4 10.5 0.1 248 11 3 -3 35.262 70.523 0.375 4.08 4 25.0 0.8 249 3 5 3 35.372 70.745 0.376 4.06 4 3.4 0.0 250 2 4 -4 35.422 70.844 0.376 4.05 4 15.9 0.3 251 4 4 -4 35.47 70.939 0.377 4.04 4 23.2 0.7 252 12 2 -3 35.527 71.053 0.377 4.02 4 31.6 1.3 253 8 6 0 35.542 71.083 0.377 4.02 4 15.7 0.3 254 3 7 1 35.569 71.139 0.378 4.01 4 80.1 8.3 255 12 2 1 35.703 71.406 0.379 3.98 4 16.6 0.4 256 9 5 1 35.836 71.672 0.38 3.95 4 24.0 0.7 257 7 5 2 35.914 71.827 0.381 3.94 4 11.5 0.2 258 5 7 0 35.926 71.853 0.381 3.94 4 3.2 0.0 259 7 3 3 35.953 71.906 0.381 3.93 4 16.1 0.3 260 10 4 -3 35.958 71.917 0.381 3.93 4 9.7 0.1 261 5 7 -1 36.067 72.133 0.382 3.91 4 95.6 11.5 262 12 4 -1 36.2 72.4 0.383 3.88 4 5.0 0.0 263 4 2 4 36.272 72.545 0.384 3.86 4 62.2 4.8 264 0 4 4 36.273 72.546 0.384 3.86 4 69.2 5.9 265 13 3 -1 36.28 72.56 0.384 3.86 4 20.9 0.5 266 8 2 3 36.292 72.584 0.384 3.86 4 33.5 1.4 267 2 6 -3 36.405 72.809 0.385 3.84 4 27.5 0.9 268 6 4 -4 36.415 72.831 0.385 3.83 4 4.2 0.0 269 14 0 -2 36.435 72.87 0.386 3.83 2 16.1 0.2 270 11 1 2 36.503 73.006 0.386 3.82 4 4.6 0.0 271 6 4 3 36.568 73.136 0.387 3.8 4 18.7 0.4 272 10 2 -4 36.604 73.209 0.387 3.8 4 41.6 2.1 273 3 3 4 36.666 73.332 0.388 3.78 4 13.9 0.2 274 1 7 -2 36.714 73.429 0.388 3.77 4 18.0 0.4 275 13 1 -3 36.744 73.488 0.388 3.77 4 23.9 0.7 276 8 6 -2 36.75 73.501 0.388 3.77 4 13.8 0.2 277 4 6 -3 36.775 73.549 0.389 3.76 4 14.5 0.3 278 5 1 4 36.83 73.66 0.389 3.75 4 10.6 0.1 279 0 6 3 36.926 73.852 0.39 3.73 4 25.7 0.8 280 9 3 -4 36.949 73.899 0.39 3.73 4 6.1 0.0 281 3 7 -2 36.96 73.92 0.39 3.73 4 8.9 0.1 282 13 3 -2 37.02 74.041 0.391 3.72 4 5.7 0.0 283 11 5 -1 37.071 74.141 0.391 3.71 4 34.0 1.4 284 12 4 -2 37.102 74.204 0.392 3.7 4 24.0 0.7 285 14 0 0 37.165 74.331 0.392 3.69 2 60.6 2.2 286 12 4 0 37.189 74.377 0.392 3.68 4 37.9 1.7 287 11 1 -4 37.207 74.414 0.393 3.68 4 25.2 0.8 288 14 2 -1 37.307 74.615 0.393 3.66 4 1.3 0.0 289 1 7 2 37.356 74.713 0.394 3.65 4 13.9 0.2 290 13 3 0 37.427 74.855 0.395 3.64 4 25.3 0.8 291 13 1 1 37.559 75.118 0.396 3.62 4 16.3 0.3 292 9 1 3 37.575 75.15 0.396 3.62 4 22.4 0.6 293 9 5 -3 37.595 75.189 0.396 3.61 4 40.9 1.9 294 5 7 1 37.675 75.35 0.397 3.6 4 11.8 0.2 295 8 6 1 37.776 75.553 0.398 3.58 4 4.7 0.0 296 14 2 -2 37.881 75.763 0.399 3.56 4 20.2 0.5 297 11 5 0 37.892 75.783 0.399 3.56 4 28.8 1.0 298 3 1 -5 37.906 75.812 0.399 3.56 4 29.2 1.0 299 2 4 4 38.0 75.999 0.4 3.54 4 9.5 0.1 300 6 6 -3 38.026 76.052 0.4 3.54 4 33.3 1.3 301 5 1 -5 38.074 76.149 0.4 3.53 4 40.3 1.8 302 5 7 -2 38.088 76.176 0.4 3.53 4 53.3 3.2 303 5 5 3 38.12 76.24 0.401 3.52 4 8.0 0.1 304 11 5 -2 38.124 76.247 0.401 3.52 4 1.8 0.0 305 6 6 2 38.133 76.267 0.401 3.52 4 21.2 0.5 306 8 4 -4 38.233 76.466 0.402 3.51 4 58.2 3.8 307 6 0 4 38.323 76.646 0.403 3.49 2 62.9 2.2 308 2 6 3 38.325 76.65 0.403 3.49 4 18.7 0.4 309 7 7 -1 38.404 76.809 0.403 3.48 4 77.3 6.7 310 0 8 0 38.578 77.156 0.405 3.45 2 9.1 0.0 311 7 7 0 38.584 77.168 0.405 3.45 4 25.2 0.7 312 3 5 -4 38.595 77.19 0.405 3.45 4 16.7 0.3 313 14 2 0 38.602 77.204 0.405 3.45 4 19.0 0.4 314 1 1 -5 38.616 77.232 0.405 3.45 4 11.1 0.1 315 12 0 -4 38.741 77.482 0.406 3.43 2 11.7 0.1 316 10 6 -1 38.868 77.736 0.407 3.41 4 29.4 0.9 317 3 7 2 38.871 77.742 0.407 3.41 4 6.5 0.0 318 4 2 -5 38.953 77.906 0.408 3.4 4 47.3 2.4 319 1 5 -4 38.986 77.971 0.408 3.39 4 18.7 0.4 320 12 0 2 38.997 77.995 0.408 3.39 2 46.4 1.2 321 2 8 0 39.015 78.03 0.409 3.39 4 12.1 0.2 322 5 5 -4 39.078 78.156 0.409 3.38 4 26.3 0.8 323 7 1 -5 39.117 78.234 0.41 3.37 4 21.9 0.5 324 2 2 -5 39.222 78.444 0.41 3.36 4 38.5 1.6 325 15 1 -1 39.256 78.512 0.411 3.35 4 52.0 2.9 326 10 4 2 39.261 78.522 0.411 3.35 4 54.7 3.2 327 11 3 2 39.376 78.751 0.412 3.34 4 24.0 0.6 328 0 8 1 39.504 79.007 0.413 3.32 4 14.3 0.2 329 10 6 0 39.52 79.04 0.413 3.32 4 42.4 1.9 330 6 2 -5 39.555 79.11 0.413 3.31 4 45.8 2.2 331 13 3 -3 39.611 79.223 0.414 3.3 4 30.1 1.0 332 2 8 -1 39.624 79.247 0.414 3.3 4 2.2 0.0 333 15 1 -2 39.664 79.329 0.414 3.3 4 48.3 2.5 334 5 3 4 39.695 79.39 0.415 3.29 4 1.5 0.0 335 6 2 4 39.746 79.492 0.415 3.29 4 1.4 0.0 336 12 4 -3 39.848 79.696 0.416 3.27 4 5.8 0.0 337 12 4 1 40.018 80.035 0.417 3.25 4 3.8 0.0 338 10 6 -2 40.063 80.126 0.418 3.25 4 41.9 1.8 339 11 3 -4 40.063 80.126 0.418 3.25 4 6.7 0.0 340 9 5 2 40.073 80.145 0.418 3.25 4 17.4 0.3 341 7 7 -2 40.074 80.147 0.418 3.25 4 0.9 0.0 342 8 6 -3 40.132 80.264 0.418 3.24 4 16.0 0.3 343 12 2 -4 40.16 80.32 0.419 3.23 4 14.1 0.2 344 1 1 5 40.19 80.379 0.419 3.23 4 53.5 3.0 345 1 5 4 40.243 80.486 0.419 3.22 4 13.0 0.2 346 2 8 1 40.251 80.502 0.419 3.22 4 40.1 1.7 347 14 2 -3 40.299 80.597 0.42 3.22 4 5.4 0.0 348 4 8 0 40.318 80.636 0.42 3.22 4 10.3 0.1 349 0 2 5 40.358 80.715 0.42 3.21 4 11.9 0.1 350 13 3 1 40.408 80.816 0.421 3.21 4 33.9 1.2 351 12 2 2 40.414 80.828 0.421 3.2 4 12.1 0.2 352 9 3 3 40.423 80.847 0.421 3.2 4 42.3 1.8 353 7 5 -4 40.426 80.853 0.421 3.2 4 2.0 0.0 354 11 5 1 40.55 81.1 0.422 3.19 4 6.9 0.0 355 4 4 4 40.567 81.133 0.422 3.19 4 34.3 1.2 356 4 6 3 40.574 81.149 0.422 3.19 4 29.9 0.9 357 8 4 3 40.585 81.171 0.422 3.18 4 28.8 0.8 358 7 7 1 40.606 81.213 0.422 3.18 4 58.5 3.5 359 4 8 -1 40.61 81.219 0.423 3.18 4 0.4 0.0 360 15 1 0 40.689 81.377 0.423 3.17 4 60.6 3.7 361 7 1 4 40.72 81.439 0.423 3.17 4 0.7 0.0 362 3 3 -5 40.748 81.495 0.424 3.17 4 16.6 0.3 363 10 4 -4 40.887 81.775 0.425 3.15 4 8.0 0.1 364 5 3 -5 40.913 81.825 0.425 3.15 4 52.6 2.8 365 11 5 -3 41.005 82.01 0.426 3.14 4 10.7 0.1 366 9 1 -5 41.016 82.032 0.426 3.14 4 33.3 1.1 367 8 2 -5 41.018 82.037 0.426 3.14 4 18.2 0.3 368 3 7 -3 41.117 82.234 0.427 3.13 4 3.7 0.0 369 13 1 -4 41.177 82.354 0.427 3.12 4 20.3 0.4 370 10 2 3 41.181 82.362 0.427 3.12 4 51.2 2.6 371 1 7 -3 41.19 82.381 0.427 3.12 4 27.6 0.8 372 5 7 2 41.231 82.463 0.428 3.11 4 13.3 0.2 373 1 3 -5 41.444 82.889 0.43 3.09 4 51.1 2.6 374 9 7 -1 41.559 83.119 0.431 3.08 4 82.6 6.8 375 14 4 -1 41.569 83.137 0.431 3.08 4 21.1 0.4 376 7 5 3 41.665 83.33 0.432 3.07 4 10.0 0.1 377 14 2 1 41.715 83.429 0.432 3.07 4 15.6 0.2 378 8 6 2 41.797 83.594 0.433 3.06 4 21.1 0.4 379 4 8 1 41.855 83.711 0.433 3.05 4 15.2 0.2 380 15 1 -3 41.9 83.8 0.434 3.05 4 58.5 3.4 381 5 7 -3 41.904 83.807 0.434 3.05 4 50.3 2.5 382 7 3 -5 41.938 83.875 0.434 3.04 4 44.1 1.9 383 13 5 -1 41.978 83.956 0.434 3.04 4 78.0 5.9 384 10 6 1 41.997 83.993 0.434 3.04 4 23.6 0.5 385 9 7 0 42.046 84.093 0.435 3.03 4 28.4 0.8 386 2 8 -2 42.057 84.115 0.435 3.03 4 11.2 0.1 387 15 3 -1 42.075 84.149 0.435 3.03 4 12.2 0.1 388 1 7 3 42.123 84.246 0.435 3.03 4 20.6 0.4 389 14 4 -2 42.127 84.254 0.435 3.03 4 20.4 0.4 390 0 8 2 42.249 84.498 0.436 3.02 4 4.6 0.0 391 16 0 -2 42.342 84.684 0.437 3.01 2 104.9 5.3 392 2 2 5 42.345 84.689 0.437 3.01 4 44.6 1.9 393 3 5 4 42.349 84.699 0.437 3.01 4 6.7 0.0 394 13 1 2 42.362 84.723 0.437 3.01 4 12.5 0.2 395 6 8 -1 42.448 84.897 0.438 3.0 4 71.5 4.9 396 6 8 0 42.469 84.939 0.438 3.0 4 19.5 0.4 397 15 3 -2 42.477 84.954 0.438 3.0 4 10.6 0.1 398 2 6 -4 42.559 85.117 0.439 2.99 4 0.6 0.0 399 8 0 4 42.602 85.205 0.439 2.99 2 16.3 0.1 400 4 6 -4 42.604 85.208 0.439 2.99 4 6.5 0.0 401 3 1 5 42.607 85.213 0.439 2.99 4 18.7 0.3 402 9 5 -4 42.622 85.244 0.44 2.98 4 1.2 0.0 403 13 5 -2 42.691 85.381 0.44 2.98 4 18.1 0.3 404 4 8 -2 42.723 85.446 0.44 2.98 4 14.5 0.2 405 14 4 0 42.831 85.661 0.441 2.97 4 28.7 0.8 406 11 1 3 42.85 85.699 0.441 2.97 4 32.1 1.0 407 9 7 -2 42.893 85.785 0.442 2.96 4 32.7 1.0 408 1 3 5 42.995 85.991 0.443 2.95 4 33.4 1.1 409 10 6 -3 43.069 86.137 0.443 2.95 4 30.8 0.9 410 13 5 0 43.084 86.168 0.443 2.95 4 8.0 0.1 411 14 0 -4 43.102 86.204 0.444 2.95 2 31.6 0.5 412 4 4 -5 43.174 86.348 0.444 2.94 4 13.9 0.2 413 2 8 2 43.296 86.593 0.445 2.93 4 19.9 0.4 414 12 6 -1 43.299 86.599 0.445 2.93 4 31.3 0.9 415 10 2 -5 43.327 86.655 0.445 2.93 4 1.8 0.0 416 0 6 4 43.369 86.738 0.446 2.93 4 79.1 5.9 417 2 4 -5 43.438 86.875 0.446 2.92 4 30.8 0.9 418 15 3 0 43.489 86.978 0.447 2.92 4 30.9 0.9 419 16 2 -1 43.491 86.982 0.447 2.92 4 32.5 1.0 420 6 6 -4 43.505 87.01 0.447 2.92 4 76.5 5.5 421 7 3 4 43.52 87.04 0.447 2.92 4 40.2 1.5 422 7 7 -3 43.543 87.087 0.447 2.91 4 30.0 0.8 423 6 6 3 43.651 87.303 0.448 2.91 4 33.1 1.0 424 16 0 0 43.664 87.327 0.448 2.91 2 44.3 0.9 425 16 2 -2 43.738 87.475 0.449 2.9 4 43.3 1.7 426 11 1 -5 43.752 87.504 0.449 2.9 4 35.3 1.2 427 6 4 -5 43.765 87.53 0.449 2.9 4 15.6 0.2 428 9 3 -5 43.813 87.627 0.449 2.9 4 1.6 0.0 429 3 7 3 43.907 87.815 0.45 2.89 4 71.6 4.8 430 15 1 1 43.925 87.851 0.45 2.89 4 83.5 6.5 431 6 4 4 43.953 87.906 0.451 2.89 4 12.9 0.2 432 13 3 -4 43.973 87.947 0.451 2.89 4 25.0 0.6 433 8 2 4 43.998 87.995 0.451 2.88 4 7.4 0.1 434 12 6 -2 44.164 88.328 0.452 2.87 4 12.1 0.1 435 6 8 -2 44.241 88.483 0.453 2.87 4 30.4 0.8 436 12 6 0 44.247 88.495 0.453 2.87 4 39.3 1.4 437 6 8 1 44.304 88.608 0.453 2.87 4 61.6 3.5 438 9 7 1 44.346 88.693 0.454 2.86 4 50.6 2.4 439 12 4 -4 44.361 88.721 0.454 2.86 4 18.2 0.3 440 7 7 2 44.42 88.84 0.454 2.86 4 18.4 0.3 441 14 2 -4 44.496 88.992 0.455 2.85 4 38.2 1.3 442 14 4 -3 44.497 88.994 0.455 2.85 4 1.6 0.0 443 0 4 5 44.555 89.111 0.455 2.85 4 20.5 0.4 444 12 4 2 44.611 89.222 0.456 2.85 4 29.5 0.8 445 1 9 0 44.657 89.313 0.456 2.85 4 7.6 0.1 446 15 3 -3 44.691 89.382 0.457 2.84 4 53.7 2.6 447 11 5 2 44.982 89.963 0.459 2.83 4 27.7 0.7 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 2 0 0 4.951 9.902 8.92532 19.5 4.4 4.5 5.6 2 1 1 -1 8.341 16.682 5.30978 50.9 11.5 11.6 5.6 3 3 1 0 8.691 17.383 5.09748 20.1 4.5 4.6 5.6 4 0 2 0 8.969 17.937 4.941 227.2 51.4 51.9 5.6 5 1 1 1 9.357 18.714 4.73776 77.1 17.5 17.6 5.6 6 4 0 0 9.939 19.879 4.46266 39.1 8.8 8.9 5.6 7 3 1 -1 10.067 20.133 4.40681 15.2 3.4 3.5 5.6 8 2 2 0 10.264 20.529 4.32281 17.3 3.9 3.9 5.6 9 0 2 1 11.552 23.104 3.84638 19.2 4.3 4.4 5.6 10 2 2 -1 11.849 23.699 3.75126 16.7 3.8 3.8 5.6 11 3 1 1 12.483 24.965 3.56374 50.4 11.4 11.4 5.6 12 5 1 0 13.262 26.524 3.35772 105.5 23.9 23.9 5.6 13 4 2 0 13.449 26.899 3.31181 10.2 2.3 2.3 5.6 14 1 3 0 13.756 27.512 3.23931 48.7 11.0 11.0 5.6 15 4 2 -1 14.072 28.145 3.16797 20.0 4.5 4.5 5.6 16 2 0 -2 14.164 28.328 3.14792 154.9 35.1 35.1 5.6 17 0 0 2 14.561 29.121 3.0639 441.7 100.0 100.0 5.6 18 1 1 -2 14.858 29.716 3.00392 36.1 8.2 8.2 5.6 19 6 0 0 15.005 30.011 2.97511 30.2 6.8 6.8 5.6 20 3 1 -2 15.327 30.655 2.91402 89.3 20.2 20.2 5.6 21 4 0 -2 15.503 31.006 2.88183 16.1 3.6 3.6 5.6 22 1 3 1 15.899 31.797 2.81191 68.5 15.5 15.5 5.6 23 4 2 1 16.501 33.002 2.71195 14.9 3.4 3.4 5.6 24 2 0 2 16.58 33.161 2.69934 35.8 8.1 8.1 5.6 25 2 2 -2 16.866 33.732 2.65489 57.3 13.0 12.9 5.7 26 0 2 2 17.207 34.413 2.60391 6.5 1.5 1.5 5.7 27 6 2 -1 17.555 35.109 2.55384 10.1 2.3 2.3 5.7 28 6 2 0 17.591 35.182 2.54874 145.9 33.0 32.9 5.7 29 3 3 1 17.984 35.968 2.49486 7.9 1.8 1.8 5.7 30 4 2 -2 18.025 36.05 2.48936 4.5 1.0 1.0 5.7 31 7 1 0 18.177 36.354 2.4692 67.5 15.3 15.2 5.7 32 6 0 -2 18.234 36.468 2.46174 5.2 1.2 1.2 5.7 33 2 4 0 18.876 37.751 2.38097 8.0 1.8 1.8 5.7 34 2 2 2 18.976 37.951 2.36888 12.7 2.9 2.8 5.7 35 0 4 1 19.644 39.288 2.29129 16.7 3.8 3.7 5.7 36 4 0 2 19.783 39.565 2.27588 7.8 1.8 1.8 5.7 37 2 4 -1 19.83 39.659 2.2707 4.8 1.1 1.1 5.7 38 3 3 -2 20.134 40.267 2.23782 18.0 4.1 4.0 5.7 39 8 0 0 20.195 40.389 2.23133 51.1 11.6 11.5 5.7 40 6 2 -2 20.462 40.924 2.20341 47.6 10.8 10.7 5.7 41 7 1 -2 20.514 41.027 2.1981 20.2 4.6 4.5 5.7 42 1 3 2 20.717 41.433 2.17748 14.9 3.4 3.3 5.7 43 2 4 1 20.778 41.557 2.1713 49.4 11.2 11.1 5.7 44 4 4 0 20.878 41.756 2.1614 6.6 1.5 1.5 5.7 45 4 4 -1 21.307 42.613 2.11988 5.7 1.3 1.3 5.7 46 5 3 -2 21.765 43.53 2.07732 45.2 10.2 10.1 5.7 47 4 2 2 21.878 43.756 2.06714 25.6 5.8 5.7 5.7 48 8 0 -2 21.912 43.824 2.06407 5.5 1.2 1.2 5.7 49 3 1 -3 22.038 44.077 2.05283 21.7 4.9 4.9 5.7 50 1 1 -3 22.143 44.285 2.04364 24.4 5.5 5.5 5.7 51 8 2 0 22.258 44.516 2.03358 11.4 2.6 2.5 5.7 52 7 3 0 22.458 44.915 2.01645 34.6 7.8 7.7 5.7 53 1 5 0 23.087 46.173 1.9644 7.4 1.7 1.6 5.7 54 5 1 -3 23.139 46.279 1.96016 4.7 1.1 1.1 5.7 55 9 1 0 23.335 46.67 1.94462 6.3 1.4 1.4 5.7 56 2 2 -3 23.405 46.811 1.9391 8.0 1.8 1.8 5.7 57 1 1 3 23.44 46.879 1.93644 16.1 3.6 3.6 5.7 58 0 4 2 23.611 47.222 1.92319 10.1 2.3 2.2 5.7 59 6 4 -1 23.88 47.76 1.90275 20.6 4.7 4.6 5.7 60 1 5 -1 24.11 48.22 1.88567 13.3 3.0 3.0 5.7 61 4 4 -2 24.247 48.495 1.87563 41.7 9.4 9.3 5.7 62 7 3 -2 24.457 48.915 1.86052 12.8 2.9 2.8 5.7 63 1 5 1 24.522 49.043 1.85594 35.7 8.1 7.9 5.7 64 3 5 -1 24.833 49.665 1.83414 24.4 5.5 5.4 5.7 65 2 4 2 25.003 50.006 1.82245 28.9 6.5 6.4 5.7 66 8 2 1 25.166 50.332 1.8114 28.6 6.5 6.3 5.8 67 6 2 2 25.613 51.226 1.78187 9.0 2.0 2.0 5.8 68 3 1 3 25.79 51.58 1.77044 26.0 5.9 5.7 5.8 69 5 3 2 25.943 51.885 1.76076 11.5 2.6 2.6 5.8 70 6 4 -2 26.214 52.428 1.7438 13.4 3.0 3.0 5.8 71 10 0 -2 26.243 52.486 1.742 9.1 2.1 2.0 5.8 72 9 1 1 26.346 52.692 1.73568 15.2 3.4 3.3 5.8 73 10 2 -1 26.52 53.039 1.72513 10.0 2.3 2.2 5.8 74 5 5 -1 26.621 53.241 1.71906 22.6 5.1 5.0 5.8 75 10 2 0 27.31 54.621 1.67886 12.2 2.8 2.7 5.8 76 4 4 2 27.399 54.797 1.67387 12.3 2.8 2.7 5.8 77 10 2 -2 27.96 55.92 1.64289 33.6 7.6 7.4 5.8 78 8 2 -3 28.043 56.085 1.63844 22.9 5.2 5.0 5.8 79 8 0 2 28.35 56.699 1.62215 7.2 1.6 1.6 5.8 80 2 6 0 28.397 56.795 1.61965 5.5 1.3 1.2 5.8 81 7 3 -3 28.764 57.528 1.60075 5.6 1.3 1.2 5.8 82 5 1 3 29.014 58.028 1.58812 20.1 4.5 4.4 5.8 83 8 4 -2 29.097 58.194 1.58398 5.0 1.1 1.1 5.8 84 2 0 -4 29.247 58.495 1.57656 18.1 4.1 4.0 5.8 85 9 3 1 29.705 59.41 1.55443 13.8 3.1 3.0 5.8 86 3 5 2 29.869 59.738 1.54668 5.6 1.3 1.2 5.8 87 0 0 4 30.186 60.372 1.53195 14.0 3.2 3.1 5.8 88 2 2 -4 30.854 61.708 1.50196 11.7 2.6 2.6 5.8 89 9 1 2 31.216 62.432 1.48626 6.1 1.4 1.3 5.8 90 7 1 3 32.967 65.934 1.41555 4.6 1.0 1.0 5.9 91 2 6 2 33.221 66.442 1.40596 8.4 1.9 1.8 5.9 92 3 7 1 35.569 71.139 1.32422 8.3 1.9 1.8 5.9 93 5 7 -1 36.067 72.133 1.30839 11.5 2.6 2.5 5.9 94 0 4 4 36.273 72.546 1.30195 12.7 2.9 2.7 6.0 95 5 7 -2 38.088 76.176 1.24869 5.1 1.1 1.1 6.0 96 7 7 -1 38.404 76.809 1.23997 6.7 1.5 1.4 6.0 97 10 4 2 39.261 78.522 1.21715 6.1 1.4 1.3 6.0 98 9 7 -1 41.559 83.119 1.16111 7.2 1.6 1.5 6.1 99 15 1 -3 41.9 83.8 1.1534 5.8 1.3 1.2 6.1 100 13 5 -1 41.978 83.956 1.15165 6.5 1.5 1.4 6.1 101 16 0 -2 42.342 84.684 1.14361 7.4 1.7 1.5 6.1 102 6 8 -1 42.448 84.897 1.14128 5.4 1.2 1.1 6.1 103 0 6 4 43.369 86.738 1.12172 5.9 1.3 1.2 6.1 104 6 6 -4 43.505 87.01 1.11891 7.0 1.6 1.5 6.1 105 15 1 1 43.925 87.851 1.11036 11.2 2.5 2.3 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) |