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 *** *********************** BUKOVSKYITE 1 Fe(2)[AsO(4)][SO(4)](OH).9H(2)O Triclinic P 1(-) Z = 2 P1(-) 29 .3 .16 Ref.Str.: Majzlan J., Lazic B., Armbruster T., Johnson M.B., White M.A., Fisher R.A., Plasil J., Loun J., Skoda R., Novak M. (2012) J. Mineralog. Petrolog. Sciences, 107, 133-148 L: $Fe2 As1 S1 O18 H19$ R: Locality - GroBvoigtsberg, Germany. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.549 alpha = 115.14 b = 10.305 beta = 99.8 c = 10.904 gamma = 92.86 Unit cell volume (cub. angs.) = 749.58 Molar volume ( cub.cm/mol.) = 225.75 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3023 0.7999 0.2773 0.0 Fe = 1.00 2 0.1332 0.8193 0.5765 0.0 Fe = 1.00 3 0.7313 0.8842 0.4542 0.0 As = 1.00 4 0.7088 0.7988 0.9158 0.0 S = 1.00 5 0.8683 0.7815 0.4982 0.0 O = 1.00 6 0.1969 0.7349 0.3934 0.0 O = 1.00 7 0.8412 0.9788 0.3901 0.0 O = 1.00 8 0.3538 0.8522 0.1224 0.0 O = 1.00 9 0.5551 0.773 0.3309 0.0 O = 1.00 10 0.7852 0.8967 0.8667 0.0 O = 1.00 11 0.6669 0.8827 1.0526 0.0 O = 1.00 12 0.261 0.5896 0.1167 0.0 O = 1.00 13 0.6592 0.9952 0.596 0.0 O = 1.00 14 0.0937 0.8825 0.774 0.0 O = 1.00 15 0.544 0.71 0.8164 0.0 O = 1.00 16 0.0376 0.8139 0.1957 0.0 O = 1.00 17 0.4048 0.8529 0.6692 0.0 O = 1.00 18 0.8418 0.7027 0.9297 0.0 O = 1.00 19 0.1354 0.6251 0.5745 0.0 O = 1.00 20 0.646 0.4932 0.1378 0.0 H(2)O = 1.00 21 0.0205 0.5271 0.744 0.0 H(2)O = 1.00 22 0.6821 0.5768 0.5548 0.0 H(2)O = 1.00 23 0.311 0.926 0.119 0.0 H = 1.00 24 0.459 0.845 0.092 0.0 H = 1.00 25 0.563 0.431 0.149 0.0 H = 1.00 26 0.615 0.58 0.177 0.0 H = 1.00 27 0.13 0.518 0.782 0.0 H = 1.00 28 0.971 0.593 0.81 0.0 H = 1.00 29 0.993 0.775 0.111 0.0 H = 1.00 30 0.96 0.857 0.248 0.0 H = 1.00 31 0.207 0.559 0.532 0.0 H = 1.00 32 0.081 0.601 0.631 0.0 H = 1.00 33 0.99 0.878 0.802 0.0 H = 1.00 34 0.164 0.959 0.833 0.0 H = 1.00 35 0.308 0.571 0.042 0.0 H = 1.00 36 0.249 0.513 0.128 0.0 H = 1.00 37 0.61 0.586 0.608 0.0 H = 1.00 38 0.747 0.649 0.608 0.0 H = 1.00 39 0.14 0.662 0.354 0.0 H = 1.00 40 0.495 0.893 0.643 0.0 H = 1.00 41 0.437 0.796 0.703 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3023 0.7999 0.2773 2 2 0.1332 0.8193 0.5765 3 3 0.7313 0.8842 0.4542 4 4 0.7088 0.7988 0.9158 5 5 0.8683 0.7815 0.4982 6 6 0.1969 0.7349 0.3934 7 7 0.8412 0.9788 0.3901 8 8 0.3538 0.8522 0.1224 9 9 0.5551 0.773 0.3309 10 10 0.7852 0.8967 0.8667 11 11 0.6669 0.8827 1.0526 12 12 0.261 0.5896 0.1167 13 13 0.6592 0.9952 0.596 14 14 0.0937 0.8825 0.774 15 15 0.544 0.71 0.8164 16 16 0.0376 0.8139 0.1957 17 17 0.4048 0.8529 0.6692 18 18 0.8418 0.7027 0.9297 19 19 0.1354 0.6251 0.5745 20 20 0.646 0.4932 0.1378 21 21 0.0205 0.5271 0.744 22 22 0.6821 0.5768 0.5548 23 23 0.311 0.926 0.119 24 24 0.459 0.845 0.092 25 25 0.563 0.431 0.149 26 26 0.615 0.58 0.177 27 27 0.13 0.518 0.782 28 28 0.971 0.593 0.81 29 29 0.993 0.775 0.111 30 30 0.96 0.857 0.248 31 31 0.207 0.559 0.532 32 32 0.081 0.601 0.631 33 33 0.99 0.878 0.802 34 34 0.164 0.959 0.833 35 35 0.308 0.571 0.042 36 36 0.249 0.513 0.128 37 37 0.61 0.586 0.608 38 38 0.747 0.649 0.608 39 39 0.14 0.662 0.354 40 40 0.495 0.893 0.643 41 41 0.437 0.796 0.703 42 1 0.6977 0.2001 0.7227 43 2 0.8668 0.1807 0.4235 44 3 0.2687 0.1158 0.5458 45 4 0.2912 0.2012 0.0842 46 5 0.1317 0.2185 0.5018 47 6 0.8031 0.2651 0.6066 48 7 0.1588 0.0212 0.6099 49 8 0.6462 0.1478 0.8776 50 9 0.4449 0.227 0.6691 51 10 0.2148 0.1033 0.1333 52 11 0.3331 0.1173 0.9474 53 12 0.739 0.4104 0.8833 54 13 0.3408 0.0048 0.404 55 14 0.9063 0.1175 0.226 56 15 0.456 0.29 0.1836 57 16 0.9624 0.1861 0.8043 58 17 0.5952 0.1471 0.3308 59 18 0.1582 0.2973 0.0703 60 19 0.8646 0.3749 0.4255 61 20 0.354 0.5068 0.8622 62 21 0.9795 0.4729 0.256 63 22 0.3179 0.4232 0.4452 64 23 0.689 0.074 0.881 65 24 0.541 0.155 0.908 66 25 0.437 0.569 0.851 67 26 0.385 0.42 0.823 68 27 0.87 0.482 0.218 69 28 0.029 0.407 0.19 70 29 0.007 0.225 0.889 71 30 0.04 0.143 0.752 72 31 0.793 0.441 0.468 73 32 0.919 0.399 0.369 74 33 0.01 0.122 0.198 75 34 0.836 0.041 0.167 76 35 0.692 0.429 0.958 77 36 0.751 0.487 0.872 78 37 0.39 0.414 0.392 79 38 0.253 0.351 0.392 80 39 0.86 0.338 0.646 81 40 0.505 0.107 0.357 82 41 0.563 0.204 0.297 X-ray density (g/cm cub.) = 2.36 MU (1/cm) = 111.128 Mass attenuation coefficient (cm**2/g) = 47.175 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe 2.76 6 1.9224 6 2.0662 8 1.9674 9 2.0939 12 2.083 16 1.9427 13 2 Fe 2.76 6 1.9843 5 1.9663 6 2.049 14 2.067 17 1.993 19 1.947 7 3 As 2.628 4 1.6709 5 1.6796 7 1.6793 9 1.6861 13 4 S 2.148 4 1.4643 10 1.471 11 1.4646 15 1.4786 18 5 O 3.432 9 2.8823 6 2.7496 7 2.7021 9 2.721 13 2.906 14 2.872 19 2.8127 22 2.8962 7 3.4174 21 6 O 3.432 9 2.8823 5 2.946 9 2.8828 12 2.7317 16 2.8429 17 2.7483 19 2.9596 7 2.8829 13 2.7407 21 7 O 3.432 10 2.7496 5 2.7356 9 3.3735 11 2.7762 13 2.8001 16 2.8962 5 2.9596 6 2.9552 7 2.8086 14 2.7822 17 8 O 3.432 7 2.9442 9 2.6469 11 2.7332 12 2.7047 16 2.8042 10 2.8155 13 3.1449 17 9 O 3.432 8 2.7021 5 2.946 6 2.7356 7 2.9442 8 2.8323 12 2.7641 13 2.958 20 2.8576 13 10 O 3.432 6 2.404 11 2.6789 14 2.394 15 3.1667 17 2.409 18 2.8042 8 11 O 3.432 8 3.3735 7 2.6469 8 2.404 10 2.4061 15 3.2281 16 2.3906 18 2.685 14 3.2563 17 12 O 3.432 8 2.8828 6 2.7332 8 2.8323 9 2.8498 16 3.1212 20 2.8757 18 2.7628 20 3.2656 21 13 O 3.432 9 2.721 5 2.7762 7 2.7641 9 2.7767 17 2.8829 6 2.8155 8 2.8576 9 2.9423 13 2.8727 16 14 O 3.432 7 2.906 5 2.6789 10 2.7574 17 2.6984 19 2.8086 7 2.685 11 3.2285 16 15 O 3.432 6 2.394 10 2.4061 11 2.7272 17 2.3951 18 2.9894 22 2.7429 20 16 O 3.432 8 2.7317 6 2.8001 7 2.7047 8 3.2281 11 2.8498 12 2.731 18 2.8727 13 3.2285 14 17 O 3.432 9 2.8429 6 3.1667 10 2.7767 13 2.7574 14 2.7272 15 2.7316 19 2.7822 7 3.1449 8 3.2563 11 18 O 3.432 6 2.409 10 2.3906 11 2.3951 15 2.731 16 2.6936 21 2.8757 12 19 O 3.432 9 2.872 5 2.7483 6 2.6984 14 2.7316 17 2.6892 21 3.3901 22 2.8724 19 3.115 21 2.5827 22 20 H(2)O 3.6 7 2.958 9 3.1212 12 3.4845 8 2.7628 12 2.7429 15 3.4704 20 2.6871 21 21 H(2)O 3.6 9 3.5417 14 2.6936 18 2.6892 19 3.2061 22 3.4174 5 2.7407 6 3.2656 12 3.115 19 2.6871 20 22 H(2)O 3.6 8 2.8127 5 3.5154 10 2.9894 15 3.5358 17 3.3901 19 3.2061 21 2.5827 19 2.8866 22 23 H 1.8 1 0.8536 8 24 H 1.8 2 0.9059 8 1.7632 11 25 H 1.8 1 0.9331 20 26 H 1.8 1 0.8762 20 27 H 1.8 2 0.8877 21 1.7998 20 28 H 1.8 2 1.7952 18 0.9058 21 29 H 1.8 1 0.8326 16 30 H 1.8 1 0.8889 16 31 H 1.8 2 0.9082 19 1.6783 22 32 H 1.8 1 0.9032 19 33 H 1.8 2 1.7918 10 0.8933 14 34 H 1.8 1 0.8533 14 35 H 1.8 1 0.8936 12 36 H 1.8 1 0.8519 12 37 H 1.8 1 0.8412 22 38 H 1.8 1 0.7939 22 39 H 1.8 1 0.7511 6 40 H 1.8 1 0.9243 17 41 H 1.8 1 0.8403 17 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 0 0 1 5.32 10.639 0.052 229.7 2 96.3 757.8 2 0 1 0 5.554 11.109 0.054 210.51 2 103.8 807.3 3 0 -1 1 5.757 11.515 0.056 195.78 2 79.5 440.5 4 1 0 0 6.972 13.944 0.068 132.78 2 8.2 3.2 5 -1 0 1 7.831 15.662 0.076 104.78 2 1.0 0.0 6 -1 1 0 8.309 16.618 0.081 92.83 2 14.7 7.1 7 -1 -1 1 8.771 17.542 0.085 83.07 2 10.9 3.5 8 0 1 1 9.255 18.51 0.09 74.4 2 42.1 46.8 9 1 -1 1 9.341 18.681 0.091 73.0 2 59.0 90.4 10 1 1 0 9.515 19.029 0.092 70.27 2 3.3 0.3 11 0 -1 2 9.624 19.248 0.093 68.64 2 59.6 86.9 12 1 0 1 9.649 19.298 0.094 68.27 2 77.5 146.0 13 0 -2 1 10.019 20.038 0.097 63.16 2 23.6 12.5 14 -1 1 1 10.405 20.809 0.101 58.41 2 4.7 0.5 15 0 0 2 10.686 21.372 0.104 55.27 2 41.3 33.5 16 -1 -1 2 10.995 21.99 0.107 52.09 2 67.4 84.2 17 0 2 0 11.162 22.324 0.108 50.47 2 83.2 124.4 18 -1 0 2 11.477 22.953 0.111 47.63 2 115.5 226.1 19 0 -2 2 11.574 23.147 0.112 46.8 2 38.9 25.2 20 1 -2 1 12.014 24.028 0.116 43.28 2 86.0 113.8 21 -1 2 0 12.353 24.706 0.12 40.83 2 34.9 17.7 22 -1 -2 1 12.477 24.954 0.121 39.98 2 8.3 1.0 23 1 1 1 12.734 25.467 0.123 38.3 2 44.9 27.5 24 1 -1 2 12.788 25.576 0.124 37.96 2 9.3 1.2 25 -1 -2 2 13.168 26.336 0.127 35.68 2 181.6 418.9 26 -2 0 1 13.936 27.872 0.135 31.64 2 14.8 2.5 27 1 -2 2 13.945 27.89 0.135 31.6 2 58.3 38.2 28 1 0 2 14.015 28.029 0.135 31.27 2 80.2 71.6 29 1 2 0 14.015 28.03 0.135 31.27 2 35.2 13.8 30 2 0 0 14.05 28.1 0.136 31.1 2 135.8 204.3 31 0 1 2 14.125 28.25 0.136 30.75 2 10.3 1.2 32 -1 1 2 14.363 28.727 0.139 29.67 2 172.6 314.5 33 -2 1 0 14.402 28.805 0.139 29.5 2 105.4 116.7 34 0 2 1 14.403 28.806 0.139 29.5 2 36.2 13.7 35 0 -1 3 14.54 29.079 0.14 28.91 2 62.7 40.5 36 -1 2 1 14.817 29.635 0.143 27.77 2 59.5 35.0 37 -2 -1 1 14.876 29.753 0.144 27.53 2 1.3 0.0 38 -1 -1 3 14.965 29.931 0.144 27.18 2 14.3 2.0 39 0 -2 3 15.05 30.101 0.145 26.85 2 36.3 12.6 40 -2 1 1 15.21 30.421 0.147 26.25 2 13.7 1.8 41 0 -3 1 15.253 30.505 0.147 26.09 2 57.0 30.2 42 0 -3 2 15.486 30.972 0.149 25.26 2 33.3 10.0 43 2 -1 1 15.575 31.15 0.15 24.95 2 143.6 183.1 44 -2 0 2 15.814 31.628 0.152 24.14 2 40.6 14.2 45 -2 -1 2 15.814 31.629 0.152 24.14 2 29.4 7.4 46 -1 -2 3 15.819 31.638 0.152 24.13 2 115.8 115.2 47 2 1 0 15.867 31.733 0.153 23.97 2 17.3 2.6 48 2 0 1 16.117 32.234 0.155 23.17 2 94.4 73.6 49 0 0 3 16.149 32.298 0.155 23.07 2 61.2 30.8 50 -1 0 3 16.196 32.392 0.156 22.93 2 70.7 40.8 51 1 -3 1 16.329 32.658 0.157 22.53 2 40.1 12.9 52 -2 2 0 16.799 33.599 0.162 21.18 2 2.0 0.0 53 0 3 0 16.88 33.761 0.162 20.96 2 167.8 210.2 54 2 -2 1 17.038 34.076 0.164 20.54 2 3.0 0.1 55 1 -3 2 17.042 34.085 0.164 20.53 2 117.2 100.3 56 -1 -3 2 17.069 34.139 0.164 20.46 2 22.5 3.7 57 1 1 2 17.159 34.317 0.165 20.23 2 100.3 72.4 58 1 2 1 17.237 34.475 0.166 20.03 2 57.9 23.9 59 1 -1 3 17.34 34.681 0.167 19.77 2 1.1 0.0 60 -1 -3 1 17.341 34.682 0.167 19.77 2 115.8 94.3 61 -1 3 0 17.397 34.793 0.167 19.63 2 51.3 18.4 62 1 -2 3 17.459 34.918 0.168 19.48 2 10.6 0.8 63 0 -3 3 17.514 35.029 0.168 19.34 2 53.5 19.7 64 -2 -2 1 17.712 35.424 0.17 18.87 2 38.7 10.1 65 -2 1 2 17.755 35.51 0.17 18.77 2 19.4 2.5 66 -2 -2 2 17.757 35.514 0.17 18.77 2 22.2 3.3 67 -2 2 1 18.282 36.563 0.175 17.61 2 4.5 0.1 68 2 -1 2 18.388 36.775 0.176 17.39 2 98.2 59.6 69 -2 -1 3 18.417 36.835 0.177 17.32 2 36.8 8.4 70 -1 -3 3 18.499 36.997 0.177 17.16 2 104.3 66.5 71 2 1 1 18.509 37.017 0.177 17.14 2 16.5 1.7 72 -1 2 2 18.646 37.293 0.179 16.86 2 3.4 0.1 73 0 2 2 18.763 37.526 0.18 16.63 2 12.0 0.8 74 2 -2 2 18.942 37.883 0.181 16.28 2 151.9 133.8 75 1 0 3 19.037 38.073 0.182 16.11 2 13.7 1.1 76 -1 1 3 19.154 38.308 0.183 15.89 2 150.8 128.7 77 -2 0 3 19.159 38.318 0.183 15.88 2 0.4 0.0 78 1 3 0 19.251 38.503 0.184 15.71 2 57.3 18.3 79 2 2 0 19.305 38.61 0.185 15.61 2 18.4 1.9 80 1 -3 3 19.364 38.728 0.185 15.51 2 34.3 6.5 81 0 1 3 19.409 38.818 0.186 15.43 2 54.1 16.1 82 -2 -2 3 19.43 38.86 0.186 15.39 2 32.3 5.7 83 0 -2 4 19.533 39.067 0.187 15.21 2 13.2 1.0 84 2 0 2 19.587 39.173 0.187 15.12 2 138.8 103.7 85 -1 -2 4 19.725 39.45 0.189 14.89 2 45.2 10.8 86 -1 -1 4 19.75 39.5 0.189 14.84 2 27.7 4.1 87 0 -1 4 19.849 39.699 0.19 14.68 2 23.1 2.8 88 0 3 1 19.968 39.935 0.191 14.49 2 9.4 0.5 89 -1 3 1 19.995 39.991 0.191 14.44 2 67.4 23.3 90 2 -3 1 20.123 40.245 0.192 14.24 2 12.7 0.8 91 0 -4 2 20.362 40.724 0.195 13.87 2 10.3 0.5 92 -2 3 0 20.612 41.225 0.197 13.5 2 23.0 2.5 93 0 -4 1 20.868 41.736 0.199 13.13 2 51.5 12.4 94 -3 0 1 20.87 41.74 0.199 13.13 2 22.5 2.4 95 0 -3 4 20.88 41.761 0.199 13.11 2 21.6 2.2 96 2 -3 2 21.132 42.263 0.202 12.77 2 17.3 1.4 97 -2 2 2 21.173 42.347 0.202 12.71 2 44.4 8.9 98 -2 -3 2 21.176 42.353 0.202 12.71 2 49.0 10.8 99 -3 1 0 21.331 42.662 0.203 12.5 2 44.7 8.9 100 -1 -3 4 21.335 42.671 0.203 12.5 2 154.9 106.7 101 0 -4 3 21.342 42.683 0.203 12.49 2 50.0 11.1 102 1 -4 2 21.342 42.685 0.203 12.49 2 99.6 44.1 103 3 0 0 21.356 42.712 0.204 12.47 2 40.6 7.3 104 -1 0 4 21.406 42.812 0.204 12.4 2 126.8 71.0 105 1 -4 1 21.431 42.863 0.204 12.37 2 77.4 26.4 106 1 2 2 21.487 42.973 0.205 12.3 2 96.0 40.3 107 -2 1 3 21.502 43.003 0.205 12.28 2 34.6 5.2 108 -3 1 1 21.517 43.034 0.205 12.26 2 93.4 38.0 109 0 0 4 21.768 43.536 0.207 11.94 2 29.4 3.7 110 -2 -3 1 21.802 43.604 0.208 11.9 2 3.8 0.1 111 -3 -1 1 21.811 43.621 0.208 11.89 2 79.8 27.0 112 -3 0 2 21.841 43.682 0.208 11.85 2 35.3 5.3 113 1 -2 4 21.902 43.804 0.209 11.78 2 25.4 2.7 114 -1 -4 2 21.903 43.806 0.209 11.78 2 18.1 1.4 115 -2 -3 3 21.992 43.985 0.209 11.67 2 17.3 1.2 116 -3 -1 2 22.107 44.215 0.21 11.54 2 60.1 14.8 117 2 -2 3 22.143 44.287 0.211 11.49 2 60.8 15.1 118 -2 -1 4 22.183 44.366 0.211 11.45 2 67.0 18.3 119 1 1 3 22.193 44.386 0.211 11.44 2 36.3 5.4 120 2 2 1 22.237 44.475 0.212 11.38 2 8.7 0.3 121 2 1 2 22.3 44.6 0.212 11.31 2 61.7 15.3 122 2 -1 3 22.31 44.62 0.212 11.3 2 20.3 1.7 123 -2 -2 4 22.423 44.846 0.213 11.17 2 0.2 0.0 124 -1 -4 3 22.445 44.889 0.213 11.15 2 40.1 6.4 125 1 3 1 22.446 44.891 0.213 11.15 2 85.5 29.0 126 1 -1 4 22.453 44.906 0.213 11.14 2 44.0 7.7 127 -2 3 1 22.521 45.042 0.214 11.06 2 15.0 0.9 128 3 -1 1 22.57 45.139 0.215 11.01 2 19.4 1.5 129 1 -4 3 22.673 45.347 0.215 10.9 2 29.9 3.5 130 -1 -4 1 22.766 45.531 0.216 10.8 2 25.3 2.5 131 0 4 0 22.778 45.556 0.216 10.78 2 36.8 5.2 132 -3 2 0 22.848 45.696 0.217 10.71 2 62.0 14.6 133 1 -3 4 22.88 45.76 0.217 10.68 2 44.6 7.6 134 3 1 0 22.918 45.836 0.218 10.64 2 53.1 10.7 135 -1 4 0 22.927 45.853 0.218 10.63 2 74.9 21.2 136 -3 1 2 23.099 46.198 0.219 10.45 2 47.2 8.3 137 3 0 1 23.225 46.449 0.22 10.32 2 114.0 47.7 138 -1 2 3 23.283 46.566 0.221 10.26 2 14.6 0.8 139 3 -2 1 23.41 46.82 0.222 10.14 2 76.4 21.1 140 -2 0 4 23.449 46.898 0.222 10.1 2 73.9 19.7 141 2 -3 3 23.482 46.964 0.223 10.07 2 35.3 4.5 142 -3 2 1 23.646 47.292 0.224 9.91 2 52.4 9.7 143 0 -4 4 23.657 47.314 0.224 9.9 2 38.2 5.1 144 -1 3 2 23.707 47.414 0.225 9.85 2 49.9 8.7 145 0 2 3 23.753 47.506 0.225 9.81 2 13.6 0.6 146 -3 -1 3 23.766 47.533 0.225 9.79 2 3.8 0.0 147 2 3 0 23.779 47.558 0.225 9.78 2 64.4 14.4 148 -3 -2 2 23.858 47.716 0.226 9.71 2 55.7 10.7 149 2 0 3 23.958 47.915 0.227 9.62 2 48.8 8.2 150 0 3 2 24.052 48.103 0.228 9.53 2 42.3 6.1 151 -3 0 3 24.127 48.255 0.228 9.46 2 2.3 0.0 152 -2 -3 4 24.134 48.268 0.229 9.46 2 72.9 17.9 153 -3 -2 1 24.19 48.38 0.229 9.41 2 85.3 24.4 154 -1 -4 4 24.317 48.634 0.23 9.3 2 13.7 0.6 155 2 -4 1 24.319 48.638 0.23 9.3 2 57.1 10.8 156 -1 -2 5 24.404 48.807 0.231 9.22 2 4.4 0.1 157 -1 1 4 24.423 48.846 0.231 9.21 2 34.6 3.9 158 1 0 4 24.451 48.901 0.231 9.18 2 78.1 20.0 159 2 -4 2 24.601 49.202 0.233 9.06 2 74.4 17.8 160 0 -2 5 24.605 49.209 0.233 9.05 2 42.5 5.8 161 -3 -2 3 24.841 49.681 0.235 8.86 2 70.8 15.8 162 1 4 0 24.918 49.836 0.236 8.8 2 80.4 20.2 163 0 1 4 24.992 49.984 0.236 8.74 2 25.9 2.1 164 -1 -1 5 25.021 50.041 0.236 8.71 2 41.4 5.3 165 3 -1 2 25.066 50.132 0.237 8.68 2 34.1 3.6 166 -2 2 3 25.083 50.165 0.237 8.66 2 20.6 1.3 167 0 -3 5 25.155 50.311 0.238 8.61 2 19.6 1.2 168 -1 -3 5 25.198 50.396 0.238 8.57 2 39.6 4.8 169 1 -4 4 25.247 50.494 0.238 8.54 2 65.7 13.1 170 3 -2 2 25.263 50.525 0.239 8.52 2 66.5 13.4 171 3 1 1 25.285 50.57 0.239 8.51 2 38.4 4.5 172 -2 4 0 25.333 50.665 0.239 8.47 2 67.4 13.7 173 0 -1 5 25.457 50.913 0.24 8.38 2 1.7 0.0 174 -2 3 2 25.598 51.195 0.242 8.27 2 10.1 0.3 175 -2 -4 2 25.601 51.202 0.242 8.27 2 9.3 0.3 176 3 -3 1 25.632 51.264 0.242 8.25 2 21.2 1.3 177 -1 4 1 25.636 51.272 0.242 8.24 2 25.9 2.0 178 -3 3 0 25.692 51.383 0.242 8.2 2 142.5 59.3 179 -3 2 2 25.708 51.415 0.242 8.19 2 66.5 12.9 180 -2 -4 3 25.736 51.473 0.243 8.17 2 13.8 0.6 181 3 2 0 25.799 51.597 0.243 8.13 2 125.6 45.6 182 0 -5 2 25.812 51.623 0.243 8.12 2 28.2 2.3 183 0 4 1 25.849 51.698 0.244 8.09 2 2.0 0.0 184 -3 1 3 25.879 51.757 0.244 8.07 2 84.1 20.3 185 -2 1 4 26.052 52.104 0.246 7.95 2 40.9 4.7 186 0 -5 3 26.065 52.129 0.246 7.94 2 35.4 3.5 187 2 -4 3 26.148 52.296 0.246 7.88 2 5.5 0.1 188 2 2 2 26.157 52.315 0.246 7.88 2 55.4 8.6 189 3 0 2 26.247 52.495 0.247 7.81 2 40.0 4.4 190 2 -2 4 26.275 52.55 0.247 7.79 2 0.5 0.0 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77.284 0.349 3.44 2 48.7 2.9 534 5 -2 1 38.66 77.321 0.349 3.44 2 11.5 0.2 535 2 -5 6 38.677 77.354 0.349 3.44 2 1.0 0.0 536 -5 1 3 38.718 77.435 0.35 3.43 2 17.2 0.4 537 -4 1 5 38.724 77.449 0.35 3.43 2 30.1 1.1 538 -5 2 2 38.762 77.523 0.35 3.42 2 65.3 5.2 539 -5 -2 2 38.832 77.663 0.351 3.41 2 66.2 5.3 540 0 6 1 38.837 77.675 0.351 3.41 2 31.2 1.2 541 -1 -7 3 38.85 77.699 0.351 3.41 2 24.1 0.7 542 -1 -7 4 38.855 77.71 0.351 3.41 2 4.1 0.0 543 -4 4 2 38.857 77.714 0.351 3.41 2 66.0 5.3 544 4 -5 1 38.863 77.727 0.351 3.41 2 35.4 1.5 545 5 1 0 38.871 77.741 0.351 3.41 2 83.8 8.5 546 -4 -4 1 38.945 77.89 0.351 3.4 2 84.7 8.7 547 -5 -2 3 39.028 78.056 0.352 3.39 2 25.8 0.8 548 -1 4 4 39.035 78.07 0.352 3.38 2 31.8 1.2 549 0 -7 5 39.08 78.16 0.352 3.38 2 101.4 12.4 550 4 -2 4 39.116 78.231 0.353 3.37 2 99.3 11.8 551 -4 -4 5 39.158 78.317 0.353 3.37 2 50.6 3.1 552 -1 3 5 39.171 78.343 0.353 3.37 2 13.2 0.2 553 4 -5 2 39.176 78.352 0.353 3.36 2 91.9 10.1 554 -4 -2 6 39.189 78.377 0.353 3.36 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3.23 2 64.3 4.7 598 -3 -1 7 40.249 80.498 0.361 3.22 2 12.8 0.2 599 0 3 5 40.264 80.529 0.361 3.22 2 72.7 6.1 600 -3 -6 4 40.313 80.627 0.362 3.22 2 16.1 0.3 601 3 0 5 40.337 80.673 0.362 3.21 2 70.8 5.7 602 -3 -6 3 40.402 80.805 0.362 3.21 2 45.4 2.4 603 1 -1 7 40.403 80.806 0.362 3.21 2 27.8 0.9 604 -3 -4 7 40.457 80.914 0.363 3.2 2 11.8 0.2 605 0 0 7 40.465 80.93 0.363 3.2 2 59.8 4.1 606 -1 2 6 40.48 80.96 0.363 3.2 2 37.4 1.6 607 4 -4 4 40.482 80.964 0.363 3.2 2 1.0 0.0 608 4 -5 3 40.488 80.977 0.363 3.2 2 8.0 0.1 609 5 -2 2 40.632 81.264 0.364 3.18 2 21.0 0.5 610 2 0 6 40.719 81.437 0.365 3.17 2 37.9 1.6 611 0 -6 7 40.779 81.559 0.365 3.16 2 50.4 2.9 612 -5 2 3 40.799 81.597 0.365 3.16 2 30.8 1.1 613 -1 -6 7 40.82 81.64 0.365 3.16 2 111.1 13.9 614 2 -7 4 40.822 81.643 0.365 3.16 2 39.6 1.8 615 5 -1 2 40.852 81.704 0.366 3.15 2 6.1 0.0 616 -2 5 3 40.874 81.748 0.366 3.15 2 94.0 9.9 617 0 5 3 40.981 81.963 0.367 3.14 2 45.4 2.3 618 -2 2 6 41.011 82.023 0.367 3.14 2 3.4 0.0 619 -4 0 6 41.025 82.05 0.367 3.14 2 6.8 0.1 620 -1 -3 8 41.039 82.078 0.367 3.13 2 10.3 0.1 621 1 6 1 41.097 82.194 0.367 3.13 2 62.7 4.4 622 2 3 4 41.152 82.303 0.368 3.12 2 63.8 4.5 623 5 1 1 41.216 82.433 0.368 3.12 2 53.2 3.1 624 -3 -6 5 41.221 82.441 0.368 3.11 2 31.5 1.1 625 -4 5 1 41.243 82.485 0.369 3.11 2 160.1 28.4 626 2 6 0 41.256 82.513 0.369 3.11 2 13.7 0.2 627 2 4 3 41.286 82.572 0.369 3.11 2 72.1 5.8 628 -5 1 4 41.293 82.585 0.369 3.11 2 42.1 2.0 629 2 -7 1 41.308 82.615 0.369 3.11 2 25.7 0.7 630 -5 -3 3 41.309 82.619 0.369 3.11 2 55.9 3.5 631 -4 -5 3 41.325 82.65 0.369 3.1 2 80.6 7.2 632 0 -7 6 41.361 82.721 0.369 3.1 2 27.2 0.8 633 -1 -4 8 41.362 82.724 0.369 3.1 2 34.6 1.3 634 4 4 0 41.391 82.781 0.37 3.1 2 29.0 0.9 635 3 3 3 41.396 82.792 0.37 3.1 2 26.3 0.8 636 -4 3 4 41.412 82.824 0.37 3.1 2 49.6 2.7 637 -4 -5 4 41.418 82.836 0.37 3.09 2 42.8 2.0 638 5 2 0 41.441 82.882 0.37 3.09 2 18.3 0.4 639 -5 3 2 41.469 82.937 0.37 3.09 2 26.4 0.8 640 -3 -6 2 41.486 82.972 0.37 3.09 2 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37.6 1.5 705 1 0 7 43.238 86.476 0.383 2.94 2 65.8 4.5 706 -5 4 1 43.294 86.587 0.383 2.93 2 1.8 0.0 707 -3 5 3 43.367 86.734 0.384 2.93 2 77.4 6.2 708 -2 1 7 43.375 86.75 0.384 2.93 2 8.1 0.1 709 2 -5 7 43.412 86.824 0.384 2.92 2 45.1 2.1 710 5 -4 2 43.434 86.868 0.384 2.92 2 25.2 0.7 711 -2 7 0 43.447 86.895 0.384 2.92 2 8.5 0.1 712 4 -3 5 43.458 86.915 0.384 2.92 2 18.4 0.4 713 4 -6 2 43.477 86.953 0.385 2.92 2 9.7 0.1 714 -3 -6 1 43.552 87.104 0.385 2.91 2 46.0 2.2 715 -4 1 6 43.552 87.104 0.385 2.91 2 22.1 0.5 716 5 -2 3 43.57 87.141 0.385 2.91 2 16.4 0.3 717 1 5 3 43.58 87.159 0.385 2.91 2 2.2 0.0 718 4 -6 1 43.624 87.247 0.386 2.91 2 42.0 1.8 719 -1 -1 8 43.631 87.262 0.386 2.91 2 75.1 5.8 720 -4 -2 7 43.633 87.266 0.386 2.91 2 8.9 0.1 721 3 -7 2 43.647 87.295 0.386 2.91 2 65.4 4.4 722 3 -5 6 43.664 87.328 0.386 2.91 2 79.6 6.6 723 3 1 5 43.711 87.421 0.386 2.9 2 20.7 0.4 724 3 5 1 43.712 87.423 0.386 2.9 2 76.2 6.0 725 -5 -3 5 43.753 87.506 0.387 2.9 2 9.0 0.1 726 3 -7 3 43.76 87.52 0.387 2.9 2 35.4 1.3 727 4 3 2 43.775 87.549 0.387 2.9 2 1.2 0.0 728 4 -2 5 43.776 87.551 0.387 2.9 2 39.0 1.6 729 -5 2 4 43.801 87.603 0.387 2.9 2 54.7 3.1 730 3 -1 6 43.86 87.721 0.387 2.89 2 87.2 7.8 731 -4 -3 7 43.886 87.772 0.388 2.89 2 28.3 0.8 732 -4 5 2 43.902 87.804 0.388 2.89 2 20.2 0.4 733 4 2 3 43.907 87.814 0.388 2.89 2 21.3 0.5 734 -5 3 3 43.933 87.866 0.388 2.89 2 96.2 9.5 735 5 -3 3 43.974 87.948 0.388 2.89 2 38.7 1.5 736 -2 -5 8 44.037 88.074 0.389 2.88 2 24.5 0.6 737 -2 -7 6 44.054 88.109 0.389 2.88 2 11.4 0.1 738 0 -8 4 44.099 88.198 0.389 2.88 2 19.6 0.4 739 -4 -5 1 44.106 88.212 0.389 2.88 2 170.6 29.8 740 -2 -1 8 44.165 88.329 0.389 2.87 2 42.0 1.8 741 0 1 7 44.19 88.379 0.39 2.87 2 29.3 0.9 742 5 2 1 44.213 88.426 0.39 2.87 2 29.6 0.9 743 4 -4 5 44.214 88.428 0.39 2.87 2 33.8 1.2 744 5 -1 3 44.241 88.482 0.39 2.87 2 33.0 1.1 745 1 -4 8 44.264 88.527 0.39 2.87 2 9.1 0.1 746 0 -8 3 44.273 88.547 0.39 2.87 2 25.3 0.7 747 1 -3 8 44.312 88.624 0.39 2.87 2 4.5 0.0 748 4 -6 3 44.315 88.631 0.391 2.87 2 2.1 0.0 749 2 1 6 44.356 88.713 0.391 2.86 2 26.0 0.7 750 -4 -1 7 44.454 88.908 0.391 2.86 2 23.0 0.5 751 1 -8 3 44.461 88.921 0.392 2.86 2 57.3 3.3 752 1 2 6 44.512 89.025 0.392 2.85 2 9.7 0.1 753 3 -7 1 44.52 89.041 0.392 2.85 2 88.2 7.9 754 5 1 2 44.522 89.045 0.392 2.85 2 12.6 0.2 755 -3 -3 8 44.544 89.089 0.392 2.85 2 27.2 0.8 756 1 -8 4 44.56 89.119 0.392 2.85 2 50.5 2.6 757 -4 -5 6 44.566 89.132 0.392 2.85 2 22.1 0.5 758 0 -7 7 44.604 89.208 0.393 2.85 2 19.5 0.4 759 -5 -4 3 44.641 89.283 0.393 2.85 2 84.3 7.2 760 2 -1 7 44.682 89.363 0.393 2.84 2 51.3 2.7 761 -4 6 0 44.756 89.512 0.394 2.84 2 78.4 6.2 762 0 -1 8 44.787 89.573 0.394 2.84 2 32.1 1.0 763 1 7 0 44.79 89.58 0.394 2.84 2 52.2 2.7 764 4 4 1 44.796 89.591 0.394 2.84 2 7.2 0.1 765 -5 1 5 44.823 89.646 0.394 2.84 2 6.6 0.0 766 -1 -7 7 44.829 89.657 0.394 2.84 2 28.7 0.8 767 3 -7 4 44.858 89.716 0.394 2.84 2 40.3 1.6 768 0 -8 5 44.91 89.82 0.395 2.83 2 45.8 2.1 769 -5 -4 4 44.913 89.826 0.395 2.83 2 75.3 5.7 770 -3 -2 8 44.929 89.857 0.395 2.83 2 58.7 3.5 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 0 1 5.32 10.639 9.64771 757.8 93.9 93.9 5.6 2 0 1 0 5.554 11.109 9.24113 807.3 100.0 100.0 5.6 3 0 -1 1 5.757 11.515 8.91656 440.5 54.6 54.5 5.6 4 0 1 1 9.255 18.51 5.56164 46.8 5.8 5.8 5.6 5 1 -1 1 9.341 18.681 5.51107 90.4 11.2 11.2 5.6 6 1 0 1 9.649 19.298 5.3364 232.8 28.8 28.7 5.6 7 0 -2 1 10.019 20.038 5.14129 12.5 1.6 1.5 5.6 8 0 0 2 10.686 21.372 4.82385 33.5 4.2 4.1 5.6 9 -1 -1 2 10.995 21.99 4.68991 84.2 10.4 10.4 5.6 10 0 2 0 11.162 22.324 4.62056 124.4 15.4 15.3 5.6 11 -1 0 2 11.477 22.953 4.49553 226.1 28.0 27.8 5.6 12 0 -2 2 11.574 23.147 4.45828 25.2 3.1 3.1 5.6 13 1 -2 1 12.014 24.028 4.29719 113.8 14.1 14.0 5.6 14 -1 2 0 12.353 24.706 4.18097 17.7 2.2 2.2 5.6 15 1 1 1 12.734 25.467 4.058 27.5 3.4 3.4 5.6 16 -1 -2 2 13.168 26.336 3.92633 418.9 51.9 51.4 5.6 17 1 -2 2 13.945 27.89 3.71163 40.6 5.0 5.0 5.6 18 1 0 2 14.015 28.029 3.69353 85.3 10.6 10.4 5.6 19 2 0 0 14.05 28.1 3.68435 204.3 25.3 25.0 5.6 20 -1 1 2 14.363 28.727 3.60569 314.5 39.0 38.5 5.6 21 -2 1 0 14.402 28.805 3.5961 130.4 16.2 16.0 5.6 22 0 -1 3 14.54 29.079 3.5629 40.5 5.0 5.0 5.6 23 -1 2 1 14.817 29.635 3.49757 35.0 4.3 4.3 5.6 24 0 -2 3 15.05 30.101 3.44463 12.6 1.6 1.5 5.6 25 0 -3 1 15.253 30.505 3.4 30.2 3.7 3.7 5.6 26 0 -3 2 15.486 30.972 3.34995 10.0 1.2 1.2 5.6 27 2 -1 1 15.575 31.15 3.33136 183.1 22.7 22.4 5.6 28 -1 -2 3 15.819 31.638 3.28126 136.7 16.9 16.7 5.6 29 2 0 1 16.117 32.234 3.22209 73.6 9.1 9.0 5.6 30 0 0 3 16.149 32.298 3.2159 30.8 3.8 3.8 5.6 31 -1 0 3 16.196 32.392 3.20678 40.8 5.1 5.0 5.6 32 1 -3 1 16.329 32.658 3.18138 12.9 1.6 1.6 5.6 33 0 3 0 16.88 33.761 3.08037 210.2 26.0 25.6 5.7 34 1 -3 2 17.042 34.085 3.05193 104.0 12.9 12.7 5.7 35 1 1 2 17.159 34.317 3.03186 72.4 9.0 8.8 5.7 36 1 2 1 17.237 34.475 3.01846 23.9 3.0 2.9 5.7 37 -1 -3 1 17.341 34.682 3.00094 94.3 11.7 11.5 5.7 38 -1 3 0 17.397 34.793 2.99167 18.4 2.3 2.2 5.7 39 0 -3 3 17.514 35.029 2.97219 19.7 2.4 2.4 5.7 40 -2 -2 1 17.712 35.424 2.94005 10.1 1.2 1.2 5.7 41 2 -1 2 18.388 36.775 2.83556 59.6 7.4 7.2 5.7 42 -2 -1 3 18.417 36.835 2.83113 8.4 1.0 1.0 5.7 43 -1 -3 3 18.499 36.997 2.81913 68.2 8.4 8.3 5.7 44 2 -2 2 18.942 37.883 2.75553 133.8 16.6 16.2 5.7 45 -1 1 3 19.154 38.308 2.72614 128.7 15.9 15.6 5.7 46 1 3 0 19.251 38.503 2.71283 18.3 2.3 2.2 5.7 47 0 1 3 19.409 38.818 2.69162 21.8 2.7 2.6 5.7 48 2 0 2 19.587 39.173 2.6682 103.7 12.8 12.6 5.7 49 -1 -2 4 19.725 39.45 2.6502 14.9 1.8 1.8 5.7 50 -1 3 1 19.995 39.991 2.61581 23.3 2.9 2.8 5.7 51 0 -4 1 20.868 41.736 2.51102 17.0 2.1 2.1 5.7 52 -2 -3 2 21.176 42.353 2.47609 19.8 2.5 2.4 5.7 53 1 -4 2 21.342 42.685 2.4577 178.2 22.1 21.5 5.7 54 -1 0 4 21.406 42.812 2.45076 97.4 12.1 11.8 5.7 55 1 2 2 21.487 42.973 2.44198 45.6 5.6 5.5 5.7 56 -3 1 1 21.517 43.034 2.43873 38.0 4.7 4.6 5.7 57 -3 -1 1 21.811 43.621 2.40745 27.0 3.3 3.3 5.7 58 -3 -1 2 22.107 44.215 2.37672 14.8 1.8 1.8 5.7 59 2 -2 3 22.143 44.287 2.37304 15.1 1.9 1.8 5.7 60 -2 -1 4 22.183 44.366 2.36902 23.7 2.9 2.9 5.7 61 2 1 2 22.3 44.6 2.35719 17.0 2.1 2.0 5.7 62 1 -1 4 22.453 44.906 2.34199 43.1 5.3 5.2 5.7 63 -3 2 0 22.848 45.696 2.30362 14.6 1.8 1.8 5.7 64 -1 4 0 22.927 45.853 2.29612 31.9 4.0 3.8 5.7 65 -3 1 2 23.099 46.198 2.27991 8.3 1.0 1.0 5.7 66 3 0 1 23.225 46.449 2.26827 47.7 5.9 5.7 5.7 67 3 -2 1 23.41 46.82 2.25131 21.1 2.6 2.5 5.7 68 -2 0 4 23.449 46.898 2.24777 19.7 2.4 2.4 5.7 69 -3 2 1 23.646 47.292 2.2301 14.8 1.8 1.8 5.7 70 -1 3 2 23.707 47.414 2.2247 8.7 1.1 1.0 5.7 71 2 3 0 23.779 47.558 2.21836 14.4 1.8 1.7 5.7 72 -3 -2 2 23.858 47.716 2.21143 10.7 1.3 1.3 5.7 73 2 0 3 23.958 47.915 2.20277 8.2 1.0 1.0 5.7 74 -2 -3 4 24.134 48.268 2.18764 17.9 2.2 2.1 5.7 75 -3 -2 1 24.19 48.38 2.18287 24.4 3.0 2.9 5.7 76 2 -4 1 24.319 48.638 2.17198 10.8 1.3 1.3 5.7 77 1 0 4 24.451 48.901 2.161 23.9 3.0 2.9 5.7 78 2 -4 2 24.601 49.202 2.14859 23.7 2.9 2.8 5.7 79 -3 -2 3 24.841 49.681 2.12919 15.8 2.0 1.9 5.7 80 1 4 0 24.918 49.836 2.12299 20.2 2.5 2.4 5.7 81 3 -2 2 25.263 50.525 2.0959 31.0 3.8 3.7 5.8 82 -2 4 0 25.333 50.665 2.09049 13.7 1.7 1.6 5.8 83 -3 3 0 25.692 51.383 2.06321 72.2 8.9 8.6 5.8 84 3 2 0 25.799 51.597 2.05524 47.9 5.9 5.7 5.8 85 -3 1 3 25.879 51.757 2.04933 20.3 2.5 2.4 5.8 86 -2 1 4 26.052 52.104 2.03664 8.3 1.0 1.0 5.8 87 2 2 2 26.157 52.315 2.029 8.6 1.1 1.0 5.8 88 -2 -2 5 26.387 52.775 2.01256 27.5 3.4 3.3 5.8 89 -2 -1 5 26.743 53.485 1.98776 49.0 6.1 5.8 5.8 90 2 3 1 26.879 53.758 1.97841 18.3 2.3 2.2 5.8 91 1 -5 3 26.991 53.983 1.9708 19.0 2.4 2.3 5.8 92 0 -4 5 27.046 54.093 1.96709 21.4 2.7 2.6 5.8 93 -1 -5 3 27.246 54.493 1.95374 41.0 5.1 4.9 5.8 94 -1 -4 5 27.314 54.628 1.94929 16.4 2.0 2.0 5.8 95 1 -1 5 27.978 55.957 1.90661 16.7 2.1 2.0 5.8 96 -1 3 3 28.218 56.436 1.89172 16.5 2.0 2.0 5.8 97 -4 0 1 28.336 56.673 1.88447 13.9 1.7 1.7 5.8 98 1 -4 5 28.824 57.648 1.85526 75.7 9.4 9.0 5.8 99 2 0 4 28.969 57.938 1.84677 9.0 1.1 1.1 5.8 100 2 -5 2 29.023 58.046 1.84364 12.3 1.5 1.5 5.8 101 -1 4 2 29.321 58.643 1.82652 17.9 2.2 2.1 5.8 102 3 -4 2 29.577 59.153 1.81216 32.6 4.0 3.9 5.8 103 0 4 2 29.834 59.667 1.79798 29.1 3.6 3.4 5.8 104 -1 1 5 30.096 60.192 1.78374 22.6 2.8 2.7 5.8 105 4 -1 1 30.132 60.264 1.78183 25.6 3.2 3.0 5.8 106 1 0 5 30.227 60.455 1.77672 17.3 2.1 2.0 5.8 107 -4 -1 3 30.296 60.592 1.77309 11.3 1.4 1.3 5.8 108 -2 -5 3 30.37 60.74 1.76918 31.7 3.9 3.7 5.8 109 -1 -5 5 30.565 61.13 1.75896 11.3 1.4 1.3 5.8 110 -2 4 2 30.762 61.524 1.74878 27.2 3.4 3.2 5.8 111 -3 -4 2 30.901 61.801 1.74171 12.6 1.6 1.5 5.8 112 -2 -2 6 31.096 62.192 1.73186 58.6 7.3 6.9 5.8 113 -2 1 5 31.217 62.434 1.72582 16.3 2.0 1.9 5.8 114 0 -6 3 31.462 62.923 1.71376 56.7 7.0 6.7 5.9 115 1 2 4 31.849 63.698 1.69508 11.2 1.4 1.3 5.9 116 1 -6 2 32.062 64.123 1.68502 12.0 1.5 1.4 5.9 117 3 2 2 32.201 64.403 1.67848 15.4 1.9 1.8 5.9 118 -2 -5 1 32.261 64.522 1.67573 23.7 2.9 2.8 5.9 119 3 -3 4 32.446 64.892 1.6672 36.6 4.5 4.3 5.9 120 4 -2 2 32.479 64.958 1.66568 36.8 4.6 4.3 5.9 121 4 -1 2 32.516 65.031 1.66402 43.3 5.4 5.1 5.9 122 3 3 1 32.74 65.481 1.65385 36.7 4.6 4.3 5.9 123 3 -1 4 32.924 65.848 1.64567 33.4 4.1 3.9 5.9 124 -2 -4 6 33.038 66.076 1.64063 22.0 2.7 2.6 5.9 125 -2 5 1 33.181 66.362 1.63435 24.9 3.1 2.9 5.9 126 3 -5 1 33.33 66.66 1.62789 10.0 1.2 1.2 5.9 127 3 -5 2 33.366 66.732 1.62634 15.5 1.9 1.8 5.9 128 0 -5 6 33.624 67.247 1.61533 17.2 2.1 2.0 5.9 129 0 0 6 33.798 67.597 1.60795 15.3 1.9 1.8 5.9 130 -2 0 6 33.908 67.815 1.60339 10.7 1.3 1.2 5.9 131 -3 1 5 34.157 68.315 1.59308 12.0 1.5 1.4 5.9 132 -1 2 5 34.194 68.389 1.59156 9.8 1.2 1.1 5.9 133 -3 5 0 34.359 68.718 1.58486 8.6 1.1 1.0 5.9 134 3 -5 3 34.465 68.93 1.58058 14.6 1.8 1.7 5.9 135 2 0 5 34.54 69.081 1.57757 16.7 2.1 1.9 5.9 136 0 4 3 34.577 69.154 1.57611 22.2 2.8 2.6 5.9 137 -4 -3 4 34.768 69.537 1.56852 10.9 1.4 1.3 5.9 138 2 -5 5 34.815 69.63 1.56668 8.8 1.1 1.0 5.9 139 -2 4 3 34.858 69.716 1.565 10.7 1.3 1.2 5.9 140 3 0 4 34.898 69.796 1.56343 18.8 2.3 2.2 5.9 141 -2 2 5 35.049 70.097 1.55756 16.6 2.1 1.9 5.9 142 0 2 5 35.145 70.29 1.55382 10.8 1.3 1.3 5.9 143 1 -5 6 35.295 70.591 1.54807 9.2 1.1 1.1 5.9 144 -4 -1 5 35.553 71.106 1.5383 17.1 2.1 2.0 5.9 145 0 -3 7 35.643 71.286 1.53494 24.6 3.0 2.9 5.9 146 -2 -5 6 35.704 71.408 1.53267 24.3 3.0 2.8 5.9 147 -2 -6 3 35.753 71.506 1.53084 18.1 2.2 2.1 5.9 148 4 -4 2 35.875 71.75 1.52633 27.7 3.4 3.2 5.9 149 4 1 2 36.049 72.098 1.51996 12.9 1.6 1.5 5.9 150 -2 -6 2 36.592 73.185 1.50047 32.6 4.0 3.8 6.0 151 -2 1 6 36.962 73.923 1.48759 11.8 1.5 1.4 6.0 152 5 0 0 37.368 74.736 1.47374 8.2 1.0 1.0 6.0 153 -3 -5 1 37.46 74.921 1.47064 9.1 1.1 1.1 6.0 154 0 -7 3 37.494 74.989 1.4695 13.1 1.6 1.5 6.0 155 1 6 0 37.543 75.087 1.46786 8.1 1.0 0.9 6.0 156 -4 2 4 37.582 75.164 1.46658 24.3 3.0 2.8 6.0 157 -5 2 0 37.681 75.361 1.46331 31.2 3.9 3.6 6.0 158 3 -1 5 38.008 76.016 1.45259 14.4 1.8 1.7 6.0 159 -5 -2 2 38.832 77.663 1.42649 12.5 1.6 1.4 6.0 160 5 1 0 38.871 77.741 1.42529 10.0 1.2 1.2 6.0 161 -4 -4 1 38.945 77.89 1.423 8.7 1.1 1.0 6.0 162 0 -7 5 39.08 78.16 1.41887 12.4 1.5 1.4 6.0 163 4 -2 4 39.116 78.231 1.41778 11.8 1.5 1.4 6.0 164 4 -5 2 39.176 78.352 1.41594 17.8 2.2 2.0 6.0 165 4 2 2 39.412 78.824 1.40883 9.3 1.2 1.1 6.0 166 -4 -1 6 39.564 79.127 1.40432 12.1 1.5 1.4 6.0 167 -1 -6 7 40.82 81.64 1.36833 15.6 1.9 1.8 6.1 168 -2 5 3 40.874 81.748 1.36684 9.9 1.2 1.1 6.1 169 -4 5 1 41.243 82.485 1.35679 32.6 4.0 3.7 6.1 170 2 4 3 41.286 82.572 1.35562 11.9 1.5 1.3 6.1 171 0 -3 8 41.831 83.662 1.34115 8.3 1.0 0.9 6.1 172 2 -3 7 41.894 83.788 1.3395 13.5 1.7 1.5 6.1 173 -2 -3 8 41.948 83.896 1.3381 15.1 1.9 1.7 6.1 174 3 -4 6 42.098 84.197 1.33421 17.9 2.2 2.0 6.1 175 2 2 5 42.179 84.357 1.33214 8.6 1.1 1.0 6.1 176 -4 -5 2 42.224 84.448 1.33098 18.3 2.3 2.1 6.1 177 2 -7 5 42.643 85.286 1.32037 11.5 1.4 1.3 6.1 178 -1 -5 8 42.763 85.527 1.31737 13.6 1.7 1.5 6.1 179 3 -7 2 43.647 87.295 1.29591 18.7 2.3 2.1 6.2 180 3 -1 6 43.86 87.721 1.29089 8.7 1.1 1.0 6.2 181 -5 3 3 43.933 87.866 1.28919 9.5 1.2 1.1 6.2 182 -4 -5 1 44.106 88.212 1.28516 29.8 3.7 3.3 6.2 183 3 -7 1 44.52 89.041 1.27568 8.8 1.1 1.0 6.2 184 -3 -2 8 44.929 89.857 1.26654 11.3 1.4 1.3 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) |