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 *** *********************** AENIGMATITE 2, s-aenigmatite Na(2)Fe(5)TiSi(6)O(20) Triclinic P 1(-) Z = 2 R =0.092 NR =1518 16 .7 .1990 Ref.Str.: Fang J.H., Robinson P.D., Ohya Y. (1971) * Amer. Mineral., 56, 427-446 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.406 alpha = 104.93 b = 10.813 beta = 96.87 c = 8.926 gamma = 125.32 Unit cell volume (cub. angs.) = 744.46 Molar volume ( cub.cm/mol.) = 224.21 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.5 0.89 Fe = 0.89, Ti = 0.11 2 0.0 0.5 0.0 0.85 Fe = 0.87, Ti = 0.13 3 0.3214 0.8528 0.1779 0.92 Fe = 0.95, Ti = 0.05 4 0.7655 0.8199 0.1511 0.93 Fe = 0.76, Ti = 0.24 5 0.0961 0.9392 0.053 1.01 Fe = 0.9 , Ti = 0.1 6 0.5959 0.9432 0.0661 0.92 Fe = 1.00 7 0.997 0.7434 0.2577 0.7 Ti = 0.59, Fe = 0.41 8 0.2089 0.6298 0.3893 0.55 Na = 1.00 9 0.6607 0.6117 0.3741 1.06 Na = 1.00 10 0.4768 0.2345 0.3313 0.41 Si = 1.00 11 0.9864 0.2363 0.3466 0.39 Si = 1.00 12 0.7921 0.3435 0.2416 0.4 Si = 0.9 , Fe = 0.1 13 0.2772 0.3382 0.2252 0.62 Si = 0.95, Fe = 0.05 14 0.6487 0.9448 0.4447 0.5 Si = 0.94, Fe = 0.06 15 0.3528 0.5588 0.0501 0.51 Si = 0.95, Fe = 0.05 16 0.3542 0.0641 0.1621 0.64 O = 1.00 17 0.8611 0.0666 0.1807 0.43 O = 1.00 18 0.544 0.9534 0.2958 0.75 O = 1.00 19 0.0151 0.9258 0.267 0.83 O = 1.00 20 0.2353 0.8747 0.3933 0.65 O = 1.00 21 0.7541 0.8843 0.3902 0.63 O = 1.00 22 0.4929 0.1948 0.4973 0.75 O = 1.00 23 0.9675 0.7755 0.4871 0.58 O = 1.00 24 0.8996 0.323 0.3735 0.76 O = 1.00 25 0.4034 0.3364 0.3529 0.93 O = 1.00 26 0.6653 0.1744 0.0709 0.57 O = 1.00 27 0.157 0.1688 0.0612 0.57 O = 1.00 28 0.5233 0.7108 0.0393 0.56 O = 1.00 29 0.0673 0.734 0.0757 0.37 O = 1.00 30 0.2417 0.606 0.112 0.89 O = 1.00 31 0.751 0.6018 0.1275 0.64 O = 1.00 32 0.4002 0.5015 0.1883 0.52 O = 1.00 33 0.9363 0.5147 0.2264 1.09 O = 1.00 34 0.1648 0.3649 0.3183 0.62 O = 1.00 35 0.6731 0.3626 0.3466 0.99 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.5 2 2 0.0 0.5 0.0 3 3 0.3214 0.8528 0.1779 4 4 0.7655 0.8199 0.1511 5 5 0.0961 0.9392 0.053 6 6 0.5959 0.9432 0.0661 7 7 0.997 0.7434 0.2577 8 8 0.2089 0.6298 0.3893 9 9 0.6607 0.6117 0.3741 10 10 0.4768 0.2345 0.3313 11 11 0.9864 0.2363 0.3466 12 12 0.7921 0.3435 0.2416 13 13 0.2772 0.3382 0.2252 14 14 0.6487 0.9448 0.4447 15 15 0.3528 0.5588 0.0501 16 16 0.3542 0.0641 0.1621 17 17 0.8611 0.0666 0.1807 18 18 0.544 0.9534 0.2958 19 19 0.0151 0.9258 0.267 20 20 0.2353 0.8747 0.3933 21 21 0.7541 0.8843 0.3902 22 22 0.4929 0.1948 0.4973 23 23 0.9675 0.7755 0.4871 24 24 0.8996 0.323 0.3735 25 25 0.4034 0.3364 0.3529 26 26 0.6653 0.1744 0.0709 27 27 0.157 0.1688 0.0612 28 28 0.5233 0.7108 0.0393 29 29 0.0673 0.734 0.0757 30 30 0.2417 0.606 0.112 31 31 0.751 0.6018 0.1275 32 32 0.4002 0.5015 0.1883 33 33 0.9363 0.5147 0.2264 34 34 0.1648 0.3649 0.3183 35 35 0.6731 0.3626 0.3466 36 3 0.6786 0.1472 0.8221 37 4 0.2345 0.1801 0.8489 38 5 0.9039 0.0608 0.947 39 6 0.4041 0.0568 0.9339 40 7 0.003 0.2566 0.7423 41 8 0.7911 0.3702 0.6107 42 9 0.3393 0.3883 0.6259 43 10 0.5232 0.7655 0.6687 44 11 0.0136 0.7637 0.6534 45 12 0.2079 0.6565 0.7584 46 13 0.7228 0.6618 0.7748 47 14 0.3513 0.0552 0.5553 48 15 0.6472 0.4412 0.9499 49 16 0.6458 0.9359 0.8379 50 17 0.1389 0.9334 0.8193 51 18 0.456 0.0466 0.7042 52 19 0.9849 0.0742 0.733 53 20 0.7647 0.1253 0.6067 54 21 0.2459 0.1157 0.6098 55 22 0.5071 0.8052 0.5027 56 23 0.0325 0.2245 0.5129 57 24 0.1004 0.677 0.6265 58 25 0.5966 0.6636 0.6471 59 26 0.3347 0.8256 0.9291 60 27 0.843 0.8312 0.9388 61 28 0.4767 0.2892 0.9607 62 29 0.9327 0.266 0.9243 63 30 0.7583 0.394 0.888 64 31 0.249 0.3982 0.8725 65 32 0.5998 0.4985 0.8117 66 33 0.0637 0.4853 0.7736 67 34 0.8352 0.6351 0.6817 68 35 0.3269 0.6374 0.6534 X-ray density (g/cm cub.) = 3.87 MU (1/cm) = 242.24 Mass attenuation coefficient (cm**2/g) = 62.577 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Ti 2.592 6 2.0876 19 2.0347 21 2.2176 23 2.0876 19 2.0347 21 2.2176 23 2 Fe ,Ti 2.592 6 2.0751 29 2.0282 30 2.1966 33 2.0751 29 2.0282 30 2.1966 33 3 Fe ,Ti 2.592 6 2.1523 16 1.8894 18 2.2312 20 2.0894 29 2.1612 30 2.1958 26 4 Fe ,Ti 2.592 6 2.1635 17 2.106 19 2.1081 21 2.0232 28 2.2257 31 2.1511 27 5 Fe ,Ti 2.592 6 2.1185 16 2.1833 19 2.1556 27 2.1287 29 2.1774 17 2.1278 27 6 Fe 2.592 6 2.1923 17 2.1737 18 2.1501 26 2.0964 28 2.1546 16 2.2152 26 7 Ti ,Fe 2.592 6 1.8479 19 1.9888 20 2.0772 23 1.8627 29 2.0217 31 2.0948 33 8 Na 2.808 7 2.4894 20 2.5069 30 2.3892 33 2.5084 34 2.3885 22 2.5883 24 2.4825 35 9 Na 2.808 7 2.4677 21 2.4734 23 2.5374 25 2.4958 31 2.3853 32 2.7204 35 2.6105 25 10 Si 2.1 4 1.6403 16 1.6611 22 1.6533 25 1.6353 35 11 Si 2.1 4 1.6222 17 1.6332 24 1.6589 34 1.5646 23 12 Si ,Fe 2.592 4 1.6712 24 1.6431 26 1.6319 33 1.7112 35 13 Si ,Fe 2.592 4 1.6453 25 1.6105 27 1.6285 32 1.6252 34 14 Si ,Fe 2.592 4 1.6723 18 1.6312 21 1.6617 20 1.6526 22 15 Si ,Fe 2.592 4 1.6153 28 1.61 30 1.6585 32 1.6427 31 16 O 3.264 11 3.1086 18 3.1373 20 2.7317 22 2.7012 25 3.0384 26 3.0122 27 2.8209 29 2.7769 35 2.9749 17 2.7473 26 3.1617 28 17 O 3.264 11 3.1986 18 2.9342 19 2.9124 21 2.6269 24 3.0541 26 3.0494 27 3.0903 28 2.6727 34 2.9749 16 2.7375 23 2.7736 27 18 O 3.264 10 3.1086 16 3.1986 17 3.1129 20 2.7966 21 3.1218 22 2.8816 28 2.9367 30 2.7041 20 2.6663 22 3.1386 26 19 O 3.264 8 2.9342 17 2.8273 20 2.8891 21 2.7737 23 2.6855 29 2.6791 31 2.941 21 2.8139 27 20 O 3.264 10 3.1373 16 3.1129 18 2.8273 19 2.6549 22 2.6799 23 2.6314 29 2.9919 33 2.7041 18 2.7494 21 3.2242 24 21 O 3.264 9 2.9124 17 2.7966 18 2.8891 19 3.1857 23 3.0101 28 2.941 19 2.7494 20 2.62 22 2.8225 23 22 O 3.264 8 2.7317 16 3.1218 18 2.6549 20 2.6929 25 2.5583 35 2.6663 18 2.62 21 3.1902 32 23 O 3.264 9 2.7737 19 2.6799 20 3.1857 21 3.0293 31 2.9753 33 2.7375 17 2.8225 21 2.5631 24 2.5945 34 24 O 3.264 9 2.6269 17 2.735 26 2.6026 33 2.6568 34 2.6231 35 3.2242 20 2.5631 23 3.0474 24 3.2552 33 25 O 3.264 7 2.7012 16 2.6929 22 2.6901 27 2.5991 32 2.6656 34 2.662 35 3.0299 25 26 O 3.264 11 3.0384 16 3.0541 17 2.735 24 2.8022 33 2.7175 35 2.7473 16 3.1386 18 3.0261 26 3.0569 28 2.9645 29 2.9931 30 27 O 3.264 10 3.0122 16 3.0494 17 2.6901 25 2.7049 32 2.6492 34 2.7736 17 2.8139 19 2.9146 27 3.1424 28 3.1143 31 28 O 3.264 10 3.0903 17 2.8816 18 3.0101 21 2.6993 30 2.6717 32 3.1617 16 3.0569 26 3.1424 27 2.6502 31 3.1824 32 29 O 3.264 9 2.8209 16 2.6855 19 2.6314 20 2.8825 30 2.8905 31 2.7632 33 2.9645 26 2.9207 30 3.26 33 30 O 3.264 9 2.9367 18 2.6993 28 2.8825 29 2.5969 32 3.1281 33 2.9931 26 2.9207 29 2.7177 31 2.8448 33 31 O 3.264 8 2.6791 19 3.0293 23 2.8905 29 2.7396 33 3.1143 27 2.6502 28 2.7177 30 2.6369 32 32 O 3.264 8 2.5991 25 2.7049 27 2.6717 28 2.5969 30 2.6283 34 3.1902 22 3.1824 28 2.6369 31 33 O 3.264 11 2.9919 20 2.9753 23 2.6026 24 2.8022 26 2.7632 29 3.1281 30 2.7396 31 2.7859 35 3.2552 24 3.26 29 2.8448 30 34 O 3.264 7 2.6727 17 2.6568 24 2.6656 25 2.6492 27 2.6283 32 2.5945 23 2.9964 35 35 O 3.264 7 2.7769 16 2.5583 22 2.6231 24 2.662 25 2.7175 26 2.7859 33 2.9964 34 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 -1 1 0 5.465 10.929 0.053 217.55 2 7.7 4.7 2 0 0 1 6.333 12.666 0.062 161.4 2 92.5 498.5 3 0 1 0 6.361 12.723 0.062 159.95 2 91.2 479.6 4 1 0 0 6.433 12.867 0.063 156.34 2 45.6 117.2 5 0 -1 1 6.936 13.872 0.068 134.19 2 36.7 65.2 6 -1 0 1 7.335 14.671 0.071 119.73 2 11.2 5.4 7 1 -1 1 8.088 16.177 0.079 98.08 2 43.9 68.1 8 -1 1 1 8.661 17.322 0.084 85.26 2 3.5 0.4 9 -1 2 0 9.997 19.994 0.097 63.45 2 0.3 0.0 10 -2 1 0 10.136 20.273 0.098 61.66 2 0.4 0.0 11 1 -2 1 10.141 20.283 0.098 61.6 2 11.5 2.9 12 1 0 1 10.489 20.979 0.102 57.44 2 9.0 1.7 13 0 1 1 10.674 21.347 0.104 55.4 2 63.2 79.9 14 -1 -1 1 10.701 21.402 0.104 55.1 2 55.7 61.7 15 -2 1 1 10.962 21.924 0.106 52.41 2 7.4 1.0 16 -2 2 0 10.98 21.96 0.106 52.23 2 3.3 0.2 17 1 1 0 11.623 23.247 0.113 46.38 2 14.0 3.3 18 0 -1 2 11.715 23.43 0.113 45.63 2 42.5 29.8 19 0 -2 1 11.762 23.523 0.114 45.25 2 48.5 38.4 20 -1 0 2 12.162 24.324 0.118 42.19 2 12.9 2.5 21 -2 0 1 12.322 24.645 0.119 41.04 2 76.1 85.8 22 2 -2 1 12.325 24.65 0.119 41.02 2 74.6 82.3 23 0 0 2 12.745 25.49 0.123 38.23 2 5.9 0.5 24 0 2 0 12.803 25.605 0.124 37.87 2 5.6 0.4 25 2 -1 1 12.937 25.874 0.125 37.04 2 17.6 4.2 26 2 0 0 12.95 25.9 0.125 36.97 2 17.7 4.2 27 -2 2 1 13.094 26.188 0.127 36.11 2 2.5 0.1 28 -1 -1 2 13.271 26.543 0.128 35.1 2 18.2 4.2 29 -1 2 1 13.387 26.774 0.129 34.46 2 2.7 0.1 30 1 -1 2 13.546 27.092 0.131 33.61 2 22.4 6.1 31 1 -2 2 13.714 27.428 0.133 32.74 2 71.0 59.5 32 0 -2 2 13.976 27.952 0.135 31.45 2 119.5 162.1 33 -1 1 2 14.253 28.507 0.138 30.16 2 3.2 0.1 34 -2 0 2 14.795 29.589 0.143 27.86 2 36.6 13.5 35 2 -3 1 14.836 29.672 0.143 27.69 2 35.1 12.3 36 -2 1 2 14.85 29.699 0.143 27.64 2 69.4 48.0 37 -2 3 0 14.902 29.804 0.144 27.43 2 69.5 47.8 38 1 -3 1 14.974 29.948 0.144 27.15 2 6.2 0.4 39 -3 2 0 15.062 30.124 0.145 26.81 2 28.2 7.7 40 1 1 1 15.458 30.917 0.149 25.35 2 24.7 5.6 41 -3 2 1 15.802 31.604 0.152 24.18 2 5.1 0.2 42 -3 1 1 15.867 31.734 0.153 23.97 2 35.1 10.7 43 -1 3 0 15.976 31.952 0.154 23.62 2 9.4 0.7 44 -1 -2 1 16.133 32.265 0.155 23.12 2 26.4 5.8 45 -3 1 0 16.216 32.432 0.156 22.87 2 2.4 0.0 46 1 0 2 16.225 32.449 0.156 22.84 2 36.0 10.7 47 2 -2 2 16.344 32.688 0.157 22.48 2 0.3 0.0 48 2 0 1 16.348 32.697 0.157 22.47 2 1.2 0.0 49 -2 -1 1 16.375 32.751 0.158 22.39 2 14.1 1.6 50 0 1 2 16.5 33.001 0.159 22.02 2 172.6 236.7 51 0 2 1 16.535 33.069 0.159 21.92 2 181.7 261.2 52 -3 3 0 16.601 33.201 0.16 21.73 2 11.5 1.0 53 1 -3 2 16.651 33.301 0.16 21.59 2 12.2 1.2 54 3 -2 1 16.975 33.95 0.163 20.71 2 13.7 1.4 55 -1 -2 2 17.009 34.018 0.164 20.62 2 57.2 24.4 56 -2 -1 2 17.386 34.772 0.167 19.66 2 27.7 5.4 57 2 -3 2 17.39 34.78 0.167 19.65 2 28.6 5.8 58 3 -3 1 17.405 34.809 0.167 19.61 2 47.1 15.7 59 -2 2 2 17.528 35.057 0.168 19.31 2 68.5 32.7 60 -2 3 1 17.562 35.123 0.169 19.23 2 61.0 25.9 61 0 -1 3 17.677 35.354 0.17 18.96 2 141.8 137.5 62 0 -3 1 17.763 35.525 0.171 18.76 2 142.4 137.2 63 1 2 0 17.774 35.547 0.171 18.73 2 44.2 13.2 64 2 -1 2 17.815 35.631 0.171 18.63 2 79.0 41.9 65 2 1 0 17.856 35.712 0.171 18.54 2 82.3 45.3 66 -1 -1 3 17.977 35.954 0.173 18.27 2 8.8 0.5 67 -3 1 2 18.035 36.07 0.173 18.14 2 0.5 0.0 68 -1 0 3 18.127 36.255 0.174 17.94 2 0.2 0.0 69 -3 3 1 18.254 36.508 0.175 17.67 2 118.8 90.0 70 0 -2 3 18.382 36.764 0.176 17.4 2 23.7 3.5 71 -3 0 1 18.425 36.851 0.177 17.31 2 13.9 1.2 72 0 -3 2 18.434 36.868 0.177 17.29 2 20.4 2.6 73 -1 2 2 18.569 37.138 0.178 17.01 2 117.4 84.7 74 -3 2 2 18.918 37.836 0.181 16.33 2 107.0 67.5 75 3 -1 1 18.959 37.918 0.182 16.25 2 166.8 163.2 76 1 -2 3 18.977 37.953 0.182 16.22 2 0.5 0.0 77 -1 3 1 19.286 38.571 0.185 15.65 2 124.9 88.1 78 -2 0 3 19.297 38.593 0.185 15.63 2 240.1 325.0 79 0 0 3 19.325 38.649 0.185 15.58 2 17.8 1.8 80 2 -4 1 19.38 38.76 0.185 15.48 2 236.9 313.7 81 0 3 0 19.414 38.828 0.186 15.42 2 23.0 3.0 82 -3 0 2 19.474 38.948 0.186 15.32 2 55.9 17.3 83 3 0 0 19.642 39.284 0.188 15.03 2 136.2 100.6 84 1 -1 3 19.756 39.513 0.189 14.83 2 48.1 12.4 85 3 -4 1 20.114 40.228 0.192 14.25 2 1.8 0.0 86 -1 -2 3 20.114 40.229 0.192 14.25 2 7.0 0.3 87 -2 1 3 20.227 40.454 0.193 14.08 2 52.3 13.9 88 -3 4 0 20.292 40.584 0.194 13.98 2 94.2 44.7 89 -2 4 0 20.316 40.632 0.194 13.94 2 57.4 16.6 90 3 -3 2 20.413 40.827 0.195 13.79 2 34.6 6.0 91 1 -3 3 20.424 40.848 0.195 13.78 2 72.8 26.3 92 -4 2 1 20.452 40.904 0.195 13.73 2 63.6 20.0 93 -4 3 0 20.463 40.926 0.195 13.72 2 58.7 17.1 94 -1 1 3 20.522 41.044 0.196 13.63 2 104.2 53.4 95 -2 -1 3 20.568 41.135 0.196 13.56 2 214.7 225.6 96 -4 2 0 20.608 41.217 0.197 13.5 2 246.0 295.0 97 2 -4 2 20.619 41.238 0.197 13.49 2 219.2 233.9 98 1 1 2 20.776 41.553 0.198 13.26 2 11.5 0.6 99 1 -4 1 20.884 41.767 0.199 13.11 2 2.6 0.0 100 3 -2 2 20.902 41.803 0.199 13.08 2 104.7 51.8 101 -4 3 1 21.159 42.318 0.202 12.73 2 46.0 9.7 102 0 -3 3 21.24 42.48 0.203 12.62 2 69.8 22.2 103 1 -4 2 21.351 42.701 0.204 12.47 2 21.4 2.1 104 2 0 2 21.353 42.705 0.204 12.47 2 85.1 32.6 105 2 1 1 21.379 42.758 0.204 12.44 2 83.3 31.1 106 1 2 1 21.43 42.86 0.204 12.37 2 0.2 0.0 107 2 -2 3 21.736 43.472 0.207 11.98 2 171.7 127.5 108 0 2 2 21.742 43.484 0.207 11.98 2 109.9 52.2 109 2 -3 3 21.759 43.518 0.207 11.96 2 43.3 8.1 110 -2 -2 2 21.8 43.6 0.208 11.9 2 49.0 10.3 111 -2 -2 1 21.805 43.61 0.208 11.9 2 166.9 119.6 112 -4 1 1 21.845 43.69 0.208 11.85 2 48.2 9.9 113 4 -3 1 21.848 43.696 0.208 11.85 2 49.9 10.7 114 -3 3 2 21.885 43.769 0.208 11.8 2 3.6 0.1 115 -2 3 2 21.996 43.993 0.209 11.67 2 0.1 0.0 116 3 -4 2 22.021 44.041 0.21 11.64 2 41.6 7.3 117 -3 1 3 22.079 44.158 0.21 11.57 2 98.9 40.8 118 -1 -3 2 22.218 44.437 0.211 11.41 2 0.8 0.0 119 -1 -3 1 22.341 44.682 0.212 11.27 2 47.6 9.2 120 -4 2 2 22.353 44.706 0.213 11.25 2 58.5 13.9 121 -4 4 0 22.392 44.783 0.213 11.21 2 71.9 20.9 122 -1 4 0 22.458 44.915 0.214 11.13 2 88.4 31.4 123 -3 4 1 22.514 45.028 0.214 11.07 2 3.9 0.1 124 -3 0 3 22.522 45.044 0.214 11.06 2 23.6 2.2 125 1 0 3 22.571 45.142 0.215 11.01 2 24.4 2.4 126 -3 -1 1 22.754 45.509 0.216 10.81 2 74.6 21.7 127 4 -2 1 22.788 45.576 0.217 10.77 2 115.3 51.7 128 -4 1 0 22.795 45.59 0.217 10.76 2 114.9 51.3 129 3 0 1 22.82 45.641 0.217 10.74 2 4.6 0.1 130 -3 -1 2 22.865 45.73 0.217 10.69 2 29.0 3.2 131 -4 1 2 22.877 45.755 0.217 10.68 2 4.2 0.1 132 0 1 3 22.896 45.792 0.217 10.66 2 11.6 0.5 133 4 -4 1 22.908 45.816 0.218 10.65 2 2.7 0.0 134 0 3 1 22.965 45.93 0.218 10.59 2 11.2 0.5 135 -2 2 3 23.139 46.279 0.22 10.41 2 11.5 0.5 136 -2 4 1 23.21 46.419 0.22 10.33 2 8.7 0.3 137 3 -1 2 23.379 46.758 0.222 10.17 2 9.6 0.3 138 -3 2 3 23.611 47.221 0.224 9.94 2 16.0 0.9 139 2 -1 3 23.689 47.379 0.225 9.87 2 12.5 0.6 140 -1 -1 4 23.746 47.491 0.225 9.81 2 9.2 0.3 141 -2 -2 3 23.749 47.498 0.225 9.81 2 33.9 4.1 142 2 -4 3 23.753 47.507 0.225 9.81 2 36.6 4.7 143 1 -4 3 23.763 47.525 0.225 9.8 2 6.4 0.1 144 2 2 0 23.763 47.526 0.225 9.8 2 12.5 0.6 145 -4 3 2 23.788 47.576 0.225 9.77 2 72.6 18.6 146 -4 4 1 23.815 47.629 0.226 9.75 2 75.7 20.2 147 0 -2 4 23.959 47.918 0.227 9.62 2 69.9 17.0 148 -1 -3 3 24.03 48.06 0.228 9.55 2 66.8 15.4 149 0 -4 2 24.059 48.118 0.228 9.53 2 76.5 20.1 150 -1 3 2 24.101 48.202 0.228 9.49 2 0.2 0.0 151 0 -1 4 24.16 48.32 0.229 9.44 2 47.4 7.6 152 0 -4 1 24.284 48.569 0.23 9.33 2 53.7 9.7 153 1 3 0 24.375 48.749 0.231 9.25 2 23.6 1.9 154 3 -5 1 24.472 48.943 0.232 9.16 2 74.8 18.5 155 3 1 0 24.544 49.089 0.232 9.1 2 17.6 1.0 156 -1 2 3 24.619 49.239 0.233 9.04 2 19.7 1.3 157 -1 0 4 24.62 49.24 0.233 9.04 2 93.9 28.8 158 -1 -2 4 24.751 49.503 0.234 8.93 2 30.3 3.0 159 -3 -1 3 24.857 49.713 0.235 8.85 2 52.2 8.7 160 -2 0 4 24.92 49.84 0.236 8.79 2 270.5 232.1 161 3 -3 3 24.968 49.935 0.236 8.76 2 53.6 9.1 162 4 -3 2 25.037 50.073 0.237 8.7 2 37.3 4.4 163 2 -5 1 25.045 50.09 0.237 8.69 2 269.9 228.5 164 -4 0 1 25.057 50.113 0.237 8.69 2 38.6 4.7 165 1 -2 4 25.075 50.151 0.237 8.67 2 24.9 1.9 166 -2 -1 4 25.245 50.49 0.238 8.54 2 51.9 8.3 167 -4 0 2 25.266 50.533 0.239 8.52 2 78.3 18.8 168 4 -4 2 25.272 50.545 0.239 8.52 2 91.2 25.6 169 2 -5 2 25.346 50.691 0.239 8.46 2 50.1 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28.042 56.085 0.263 6.72 2 87.1 18.4 235 -3 -2 1 28.238 56.475 0.264 6.62 2 25.5 1.6 236 2 -4 4 28.304 56.608 0.265 6.58 2 16.3 0.6 237 -1 -4 2 28.314 56.628 0.265 6.58 2 35.5 3.0 238 -2 -3 3 28.351 56.703 0.265 6.56 2 7.9 0.1 239 -5 5 0 28.435 56.871 0.266 6.51 2 5.8 0.1 240 -3 -1 4 28.436 56.872 0.266 6.51 2 17.3 0.7 241 -5 1 1 28.472 56.943 0.266 6.49 2 1.2 0.0 242 1 -5 3 28.488 56.976 0.267 6.49 2 10.8 0.3 243 -3 -2 3 28.741 57.483 0.269 6.36 2 1.0 0.0 244 -5 1 2 28.762 57.524 0.269 6.35 2 37.3 3.2 245 5 -5 1 28.774 57.548 0.269 6.34 2 53.0 6.4 246 0 -4 4 28.884 57.768 0.27 6.29 2 14.1 0.4 247 3 -1 3 28.909 57.819 0.27 6.27 2 6.7 0.1 248 -1 -4 1 29.086 58.173 0.272 6.19 2 22.5 1.1 249 4 -4 3 29.155 58.31 0.272 6.16 2 31.9 2.3 250 -4 -1 2 29.185 58.37 0.273 6.14 2 22.9 1.2 251 -1 -4 3 29.195 58.39 0.273 6.14 2 6.6 0.1 252 -5 4 2 29.227 58.454 0.273 6.12 2 4.8 0.1 253 5 -2 1 29.328 58.656 0.274 6.07 2 16.4 0.6 254 -3 2 4 29.337 58.674 0.274 6.07 2 19.4 0.8 255 -1 5 0 29.377 58.755 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277 -4 -1 3 30.335 60.67 0.282 5.63 2 35.5 2.6 278 4 -5 3 30.343 60.685 0.282 5.63 2 19.7 0.8 279 2 3 0 30.348 60.695 0.282 5.63 2 74.6 11.3 280 -1 4 2 30.437 60.875 0.283 5.59 2 27.2 1.5 281 -1 -2 5 30.439 60.878 0.283 5.59 2 11.5 0.3 282 3 2 0 30.439 60.878 0.283 5.59 2 53.7 5.8 283 0 -5 2 30.459 60.917 0.283 5.58 2 4.0 0.0 284 3 -4 4 30.542 61.083 0.284 5.55 2 70.1 9.8 285 3 -3 4 30.594 61.188 0.284 5.53 2 44.3 3.9 286 -5 3 3 30.649 61.299 0.285 5.5 2 34.6 2.4 287 -5 1 3 30.665 61.33 0.285 5.5 2 68.2 9.2 288 -4 0 4 30.711 61.423 0.285 5.48 2 50.0 4.9 289 5 -5 2 30.723 61.446 0.286 5.48 2 37.7 2.8 290 5 -3 2 30.765 61.53 0.286 5.46 2 52.5 5.4 291 4 -6 2 30.804 61.608 0.286 5.44 2 46.5 4.2 292 -4 2 4 30.835 61.67 0.287 5.43 2 31.9 2.0 293 -2 -3 4 30.935 61.87 0.287 5.39 2 99.6 19.3 294 2 -5 4 30.94 61.88 0.287 5.39 2 97.1 18.3 295 -4 6 0 30.953 61.906 0.288 5.39 2 34.0 2.3 296 -2 -1 5 30.963 61.926 0.288 5.38 2 90.0 15.7 297 0 -3 5 31.097 62.194 0.289 5.33 2 54.8 5.8 298 2 -6 2 31.115 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320 1 -2 5 31.809 63.618 0.295 5.07 2 3.7 0.0 321 5 -6 1 31.825 63.65 0.295 5.07 2 30.8 1.7 322 -5 0 2 31.842 63.683 0.295 5.06 2 82.2 12.3 323 -6 3 0 31.868 63.737 0.295 5.05 2 0.4 0.0 324 3 -6 3 31.886 63.772 0.295 5.05 2 8.6 0.1 325 -3 5 2 31.962 63.925 0.296 5.02 2 13.4 0.3 326 3 -5 4 32.075 64.15 0.297 4.98 2 20.0 0.7 327 -5 6 0 32.137 64.274 0.297 4.96 2 33.2 2.0 328 2 1 3 32.18 64.359 0.298 4.95 2 83.6 12.5 329 -2 -2 5 32.187 64.373 0.298 4.94 2 14.0 0.3 330 -5 0 1 32.199 64.397 0.298 4.94 2 50.0 4.5 331 2 2 2 32.213 64.427 0.298 4.93 2 81.3 11.8 332 3 -2 4 32.227 64.453 0.298 4.93 2 91.2 14.8 333 -1 -3 5 32.234 64.469 0.298 4.93 2 7.4 0.1 334 -6 3 2 32.3 64.601 0.299 4.91 2 71.8 9.1 335 2 -6 3 32.302 64.603 0.299 4.91 2 18.7 0.6 336 -6 5 0 32.332 64.663 0.299 4.9 2 71.2 8.9 337 1 2 3 32.4 64.801 0.3 4.87 2 7.1 0.1 338 -5 5 2 32.57 65.141 0.301 4.82 2 13.6 0.3 339 -3 0 5 32.638 65.276 0.301 4.8 2 5.0 0.0 340 3 1 2 32.676 65.351 0.302 4.78 2 6.5 0.1 341 5 -1 1 32.693 65.386 0.302 4.78 2 16.0 0.4 342 -6 2 1 32.791 65.582 0.303 4.75 2 39.3 2.7 343 6 -4 1 32.795 65.59 0.303 4.75 2 38.4 2.5 344 -3 3 4 32.809 65.617 0.303 4.74 2 32.8 1.8 345 -1 5 1 32.816 65.632 0.303 4.74 2 47.3 3.8 346 1 3 2 32.898 65.795 0.304 4.72 2 24.5 1.0 347 1 -4 5 32.898 65.796 0.304 4.72 2 10.1 0.2 348 -5 4 3 32.997 65.994 0.304 4.69 2 5.3 0.0 349 -6 4 2 32.999 65.999 0.304 4.68 2 99.5 16.7 350 -4 -1 4 33.005 66.009 0.304 4.68 2 16.4 0.5 351 -6 5 1 33.022 66.043 0.305 4.68 2 95.5 15.4 352 -5 0 3 33.027 66.055 0.305 4.68 2 26.6 1.2 353 5 -6 2 33.055 66.11 0.305 4.67 2 32.7 1.8 354 4 -6 3 33.061 66.122 0.305 4.67 2 9.2 0.1 355 -2 4 3 33.077 66.154 0.305 4.66 2 2.9 0.0 356 3 0 3 33.104 66.208 0.305 4.65 2 30.2 1.5 357 5 -2 2 33.136 66.271 0.306 4.64 2 32.0 1.7 358 -6 2 2 33.149 66.297 0.306 4.64 2 23.7 0.9 359 6 -5 1 33.175 66.349 0.306 4.63 2 30.0 1.5 360 -2 1 5 33.227 66.454 0.306 4.62 2 190.0 60.2 361 -4 3 4 33.242 66.485 0.306 4.61 2 40.8 2.8 362 -3 -1 5 33.282 66.563 0.307 4.6 2 67.4 7.5 363 -4 6 1 33.348 66.695 0.307 4.58 2 37.5 2.3 364 -2 6 0 33.399 66.799 0.308 4.57 2 193.9 62.0 365 0 -4 5 33.423 66.845 0.308 4.56 2 187.9 58.1 366 0 0 5 33.472 66.945 0.308 4.55 2 15.5 0.4 367 -3 -3 2 33.48 66.96 0.308 4.54 2 1.9 0.0 368 0 -5 4 33.483 66.967 0.308 4.54 2 179.4 52.8 369 -3 1 5 33.533 67.066 0.309 4.53 2 4.3 0.0 370 1 -1 5 33.589 67.177 0.309 4.51 2 41.1 2.7 371 2 -3 5 33.624 67.247 0.31 4.5 2 6.5 0.1 372 0 5 0 33.641 67.282 0.31 4.5 2 10.6 0.2 373 1 -6 2 33.654 67.307 0.31 4.49 2 63.2 6.5 374 1 1 4 33.734 67.468 0.31 4.47 2 31.7 1.6 375 0 3 3 33.755 67.51 0.311 4.47 2 167.2 45.0 376 -2 -4 2 33.761 67.521 0.311 4.46 2 0.9 0.0 377 -3 -3 3 33.852 67.704 0.311 4.44 2 78.4 9.9 378 -5 2 4 33.865 67.73 0.311 4.44 2 52.2 4.4 379 2 -4 5 33.94 67.88 0.312 4.41 2 8.3 0.1 380 -2 3 4 33.943 67.887 0.312 4.41 2 7.2 0.1 381 6 -3 1 33.948 67.897 0.312 4.41 2 43.0 3.0 382 -6 2 0 33.953 67.907 0.312 4.41 2 41.9 2.8 383 -5 6 1 33.969 67.938 0.312 4.41 2 0.8 0.0 384 2 0 4 33.974 67.947 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34.7 1.7 449 1 -6 4 36.369 72.738 0.331 3.84 2 15.5 0.3 450 3 -7 1 36.387 72.774 0.332 3.84 2 21.8 0.7 451 -1 -5 1 36.434 72.867 0.332 3.83 2 42.1 2.4 452 3 -4 5 36.485 72.97 0.332 3.82 2 43.0 2.5 453 -2 2 5 36.563 73.126 0.333 3.8 2 109.9 16.6 454 6 -2 1 36.566 73.132 0.333 3.8 2 0.6 0.0 455 -1 3 4 36.576 73.152 0.333 3.8 2 4.4 0.0 456 -4 -2 4 36.699 73.398 0.334 3.78 2 119.5 19.5 457 -6 1 3 36.703 73.405 0.334 3.78 2 293.3 117.3 458 4 -6 4 36.708 73.417 0.334 3.78 2 127.2 22.0 459 -2 6 1 36.721 73.442 0.334 3.77 2 103.0 14.4 460 -5 5 3 36.741 73.482 0.334 3.77 2 22.9 0.7 461 6 -6 2 36.744 73.488 0.334 3.77 2 292.5 116.3 462 -4 2 5 36.767 73.534 0.335 3.76 2 21.3 0.6 463 -5 -1 3 36.785 73.569 0.335 3.76 2 39.8 2.1 464 5 -7 2 36.785 73.569 0.335 3.76 2 11.6 0.2 465 1 0 5 36.801 73.603 0.335 3.76 2 14.4 0.3 466 -1 6 0 36.865 73.731 0.335 3.75 2 40.9 2.3 467 5 -1 2 36.9 73.799 0.336 3.74 2 5.8 0.0 468 -4 7 0 36.934 73.869 0.336 3.73 2 16.6 0.4 469 3 -7 3 36.974 73.948 0.336 3.72 2 71.8 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38.871 77.742 0.351 3.41 2 40.6 2.0 535 -7 3 0 38.92 77.84 0.351 3.4 2 3.2 0.0 536 0 -6 1 38.935 77.871 0.351 3.4 2 21.2 0.6 537 -7 6 0 38.947 77.894 0.351 3.4 2 20.3 0.5 538 -3 -3 5 38.956 77.913 0.351 3.4 2 19.4 0.5 539 3 2 2 38.957 77.913 0.351 3.4 2 80.6 8.0 540 -2 -4 5 38.968 77.936 0.352 3.39 2 32.2 1.3 541 2 1 4 38.969 77.937 0.352 3.39 2 20.1 0.5 542 2 -6 5 38.974 77.947 0.352 3.39 2 26.9 0.9 543 2 3 2 39.044 78.088 0.352 3.38 2 20.0 0.5 544 -5 2 5 39.093 78.187 0.352 3.38 2 5.0 0.0 545 0 -4 6 39.102 78.205 0.353 3.37 2 18.4 0.4 546 1 -4 6 39.104 78.209 0.353 3.37 2 28.8 1.0 547 1 5 0 39.13 78.26 0.353 3.37 2 36.3 1.6 548 6 -5 3 39.185 78.37 0.353 3.36 2 34.1 1.4 549 3 -2 5 39.198 78.396 0.353 3.36 2 8.7 0.1 550 -3 0 6 39.2 78.399 0.353 3.36 2 5.3 0.0 551 -6 0 2 39.208 78.416 0.353 3.36 2 38.6 1.8 552 -7 5 2 39.221 78.442 0.353 3.36 2 1.9 0.0 553 -3 -1 6 39.223 78.446 0.353 3.36 2 30.1 1.1 554 0 -6 4 39.229 78.458 0.354 3.36 2 5.4 0.0 555 -1 0 6 39.235 78.471 0.354 3.36 2 33.0 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599 -6 7 1 40.523 81.047 0.363 3.19 2 65.5 4.9 600 6 -2 2 40.525 81.051 0.363 3.19 2 38.7 1.7 601 6 -1 1 40.542 81.085 0.363 3.19 2 43.3 2.2 602 -4 -3 2 40.55 81.099 0.363 3.19 2 54.9 3.5 603 -1 6 1 40.561 81.122 0.363 3.19 2 9.6 0.1 604 -1 -4 6 40.563 81.126 0.364 3.19 2 0.6 0.0 605 2 -4 6 40.569 81.138 0.364 3.19 2 53.1 3.2 606 0 3 4 40.599 81.199 0.364 3.18 2 82.2 7.8 607 -3 1 6 40.606 81.212 0.364 3.18 2 14.9 0.3 608 0 4 3 40.643 81.287 0.364 3.18 2 86.5 8.6 609 -3 -2 6 40.675 81.35 0.364 3.17 2 73.5 6.2 610 -2 -5 3 40.733 81.467 0.365 3.17 2 59.3 4.0 611 -2 1 6 40.81 81.619 0.365 3.16 2 38.8 1.7 612 2 -3 6 40.844 81.689 0.366 3.16 2 40.9 1.9 613 -5 3 5 40.948 81.896 0.366 3.14 2 59.6 4.0 614 -2 7 0 41.039 82.077 0.367 3.13 2 39.5 1.8 615 -2 -5 2 41.041 82.081 0.367 3.13 2 26.0 0.8 616 1 -7 2 41.046 82.092 0.367 3.13 2 25.2 0.7 617 1 -7 3 41.06 82.119 0.367 3.13 2 76.7 6.6 618 3 3 1 41.112 82.223 0.368 3.13 2 20.1 0.5 619 5 -3 4 41.132 82.265 0.368 3.12 2 51.3 3.0 620 1 -5 6 41.172 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85.633 0.38 2.97 2 1.7 0.0 685 -6 2 5 42.827 85.655 0.38 2.97 2 9.5 0.1 686 -1 -6 2 42.853 85.706 0.38 2.97 2 15.2 0.2 687 -1 4 4 42.976 85.951 0.381 2.96 2 82.3 7.2 688 6 -8 1 42.987 85.974 0.381 2.96 2 11.9 0.2 689 -5 7 2 43.065 86.13 0.382 2.95 2 10.6 0.1 690 -7 7 1 43.088 86.175 0.382 2.95 2 66.0 4.6 691 -7 1 2 43.144 86.289 0.382 2.94 2 44.4 2.1 692 -5 -2 4 43.164 86.327 0.382 2.94 2 20.4 0.4 693 1 5 1 43.174 86.348 0.382 2.94 2 56.6 3.4 694 5 -8 3 43.179 86.358 0.383 2.94 2 15.4 0.3 695 3 -7 5 43.217 86.434 0.383 2.94 2 48.1 2.5 696 3 -8 3 43.224 86.448 0.383 2.94 2 9.9 0.1 697 -5 8 0 43.227 86.454 0.383 2.94 2 47.4 2.4 698 5 1 1 43.228 86.455 0.383 2.94 2 18.9 0.4 699 -6 1 5 43.312 86.624 0.383 2.93 2 20.6 0.4 700 -5 -2 1 43.334 86.667 0.384 2.93 2 15.7 0.3 701 -7 3 4 43.39 86.779 0.384 2.93 2 29.0 0.9 702 -3 2 6 43.413 86.826 0.384 2.92 2 48.5 2.5 703 -1 5 3 43.441 86.882 0.384 2.92 2 100.4 10.6 704 7 -7 2 43.447 86.894 0.384 2.92 2 16.5 0.3 705 6 -8 2 43.454 86.909 0.384 2.92 2 28.6 0.9 706 -2 -4 6 43.455 86.911 0.384 2.92 2 29.7 0.9 707 3 -4 6 43.465 86.93 0.385 2.92 2 6.2 0.0 708 -1 -6 4 43.475 86.951 0.385 2.92 2 17.5 0.3 709 -8 5 1 43.513 87.026 0.385 2.92 2 72.9 5.6 710 -3 -3 6 43.527 87.054 0.385 2.92 2 13.7 0.2 711 -3 5 4 43.528 87.056 0.385 2.92 2 10.6 0.1 712 2 -7 5 43.53 87.06 0.385 2.92 2 41.9 1.8 713 -6 5 4 43.615 87.229 0.386 2.91 2 20.6 0.4 714 -6 7 2 43.693 87.385 0.386 2.9 2 18.6 0.4 715 3 -5 6 43.697 87.393 0.386 2.9 2 32.5 1.1 716 -4 4 5 43.745 87.49 0.387 2.9 2 41.1 1.8 717 -4 2 6 43.748 87.496 0.387 2.9 2 63.3 4.2 718 -6 3 5 43.752 87.505 0.387 2.9 2 124.2 16.1 719 3 -8 1 43.792 87.584 0.387 2.9 2 0.7 0.0 720 -3 -4 5 43.809 87.617 0.387 2.9 2 18.7 0.4 721 -7 1 3 43.819 87.637 0.387 2.9 2 22.8 0.5 722 -8 4 1 43.843 87.685 0.387 2.89 2 22.3 0.5 723 -8 5 0 43.851 87.702 0.387 2.89 2 28.1 0.8 724 -7 1 1 43.866 87.732 0.387 2.89 2 7.8 0.1 725 -4 7 2 43.879 87.757 0.387 2.89 2 43.2 1.9 726 -6 8 0 43.916 87.832 0.388 2.89 2 125.0 16.3 727 -7 2 4 43.935 87.87 0.388 2.89 2 73.9 5.7 728 -4 8 0 43.978 87.957 0.388 2.89 2 61.9 4.0 729 -3 6 3 43.994 87.987 0.388 2.88 2 7.5 0.1 730 6 -5 4 44.175 88.349 0.39 2.87 2 52.4 2.8 731 -1 3 5 44.184 88.367 0.39 2.87 2 81.5 6.9 732 -5 4 5 44.195 88.389 0.39 2.87 2 2.8 0.0 733 6 -6 4 44.233 88.467 0.39 2.87 2 34.6 1.2 734 -6 -1 2 44.239 88.478 0.39 2.87 2 62.2 4.0 735 -7 4 4 44.252 88.505 0.39 2.87 2 54.8 3.1 736 2 -6 6 44.262 88.523 0.39 2.87 2 59.5 3.7 737 -6 -1 3 44.265 88.53 0.39 2.87 2 48.6 2.4 738 -2 -5 5 44.324 88.648 0.391 2.86 2 75.1 5.8 739 -4 -3 5 44.333 88.667 0.391 2.86 2 146.6 22.2 740 -8 4 2 44.334 88.669 0.391 2.86 2 32.7 1.1 741 4 -7 5 44.345 88.689 0.391 2.86 2 137.7 19.6 742 -8 6 0 44.364 88.727 0.391 2.86 2 41.6 1.8 743 5 -2 4 44.403 88.805 0.391 2.86 2 9.5 0.1 744 -1 -5 6 44.424 88.848 0.391 2.86 2 37.5 1.5 745 -2 2 6 44.518 89.037 0.392 2.85 2 16.6 0.3 746 -5 1 6 44.537 89.074 0.392 2.85 2 4.8 0.0 747 -1 -2 7 44.565 89.129 0.392 2.85 2 9.8 0.1 748 -8 5 2 44.57 89.14 0.392 2.85 2 121.2 15.1 749 -8 6 1 44.591 89.182 0.392 2.85 2 121.2 15.1 750 1 -6 6 44.627 89.255 0.393 2.85 2 11.5 0.1 751 -1 -6 1 44.636 89.272 0.393 2.85 2 3.3 0.0 752 -4 -2 6 44.638 89.276 0.393 2.85 2 4.7 0.0 753 3 -3 6 44.641 89.283 0.393 2.85 2 51.8 2.8 754 5 -5 5 44.709 89.419 0.393 2.84 2 64.5 4.3 755 7 -2 1 44.715 89.43 0.393 2.84 2 4.5 0.0 756 -3 4 5 44.735 89.469 0.393 2.84 2 33.6 1.2 757 -2 7 1 44.738 89.477 0.393 2.84 2 21.0 0.5 758 -8 4 0 44.746 89.491 0.394 2.84 2 110.4 12.5 759 4 -8 4 44.773 89.547 0.394 2.84 2 20.5 0.4 760 4 -2 5 44.879 89.758 0.394 2.83 2 16.9 0.3 761 3 4 0 44.917 89.834 0.395 2.83 2 17.7 0.3 762 -5 0 6 44.959 89.918 0.395 2.83 2 23.9 0.6 763 0 -3 7 44.978 89.957 0.395 2.83 2 90.1 8.3 764 6 -1 2 44.982 89.963 0.395 2.83 2 0.3 0.0 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 6.333 12.666 8.10882 498.5 94.2 96.4 5.6 2 0 1 0 6.361 12.723 8.07295 479.6 90.7 92.7 5.6 3 1 0 0 6.433 12.867 7.98279 117.2 22.2 22.7 5.6 4 0 -1 1 6.936 13.872 7.40694 65.2 12.3 12.6 5.6 5 -1 0 1 7.335 14.671 7.00558 5.4 1.0 1.0 5.6 6 1 -1 1 8.088 16.177 6.35712 68.1 12.9 13.1 5.6 7 0 1 1 10.674 21.347 4.82932 141.6 26.8 27.2 5.6 8 0 -1 2 11.715 23.43 4.40534 29.8 5.6 5.7 5.6 9 0 -2 1 11.762 23.523 4.38808 38.4 7.3 7.4 5.6 10 -2 0 1 12.322 24.645 4.1912 168.1 31.8 32.3 5.6 11 2 0 0 12.95 25.9 3.9914 8.3 1.6 1.6 5.6 12 1 -1 2 13.546 27.092 3.81885 6.1 1.2 1.2 5.6 13 1 -2 2 13.714 27.428 3.77288 59.5 11.3 11.4 5.6 14 0 -2 2 13.976 27.952 3.70347 162.1 30.6 31.0 5.6 15 -2 0 2 14.795 29.589 3.50279 13.5 2.5 2.6 5.6 16 -2 1 2 14.85 29.699 3.49012 60.3 11.4 11.5 5.6 17 -2 3 0 14.902 29.804 3.47814 47.8 9.0 9.1 5.6 18 -3 2 0 15.062 30.124 3.44204 7.7 1.5 1.5 5.6 19 1 1 1 15.458 30.917 3.35587 5.6 1.1 1.1 5.6 20 -3 1 1 15.867 31.734 3.27153 10.7 2.0 2.0 5.6 21 -1 -2 1 16.133 32.265 3.21908 5.8 1.1 1.1 5.6 22 1 0 2 16.225 32.449 3.2013 10.7 2.0 2.0 5.6 23 0 1 2 16.5 33.001 3.14927 236.7 44.8 45.1 5.6 24 0 2 1 16.535 33.069 3.14294 261.2 49.4 49.8 5.6 25 -1 -2 2 17.009 34.018 3.05777 24.4 4.6 4.6 5.7 26 3 -3 1 17.405 34.809 2.99031 26.9 5.1 5.1 5.7 27 -2 2 2 17.528 35.057 2.96988 32.7 6.2 6.2 5.7 28 -2 3 1 17.562 35.123 2.96441 25.9 4.9 4.9 5.7 29 0 -1 3 17.677 35.354 2.9457 137.5 26.0 26.1 5.7 30 0 -3 1 17.763 35.525 2.93195 150.4 28.4 28.6 5.7 31 2 -1 2 17.815 35.631 2.92356 41.9 7.9 8.0 5.7 32 2 1 0 17.856 35.712 2.91712 45.3 8.6 8.6 5.7 33 -3 3 1 18.254 36.508 2.85562 90.0 17.0 17.1 5.7 34 -1 2 2 18.569 37.138 2.80883 84.7 16.0 16.1 5.7 35 -3 2 2 18.918 37.836 2.75882 67.5 12.8 12.8 5.7 36 3 -1 1 18.959 37.918 2.7531 163.2 30.9 31.0 5.7 37 -2 0 3 19.297 38.593 2.70672 414.9 78.4 78.7 5.7 38 2 -4 1 19.38 38.76 2.69555 313.7 59.3 59.4 5.7 39 -3 0 2 19.474 38.948 2.68304 17.3 3.3 3.3 5.7 40 3 0 0 19.642 39.284 2.66093 100.6 19.0 19.1 5.7 41 1 -1 3 19.756 39.513 2.64616 12.4 2.3 2.3 5.7 42 -2 1 3 20.227 40.454 2.58706 13.9 2.6 2.6 5.7 43 -3 4 0 20.292 40.584 2.57916 61.3 11.6 11.6 5.7 44 -4 2 1 20.452 40.904 2.55983 69.4 13.1 13.1 5.7 45 -1 1 3 20.522 41.044 2.55146 53.4 10.1 10.1 5.7 46 -2 -1 3 20.568 41.135 2.54605 225.6 42.6 42.7 5.7 47 -4 2 0 20.608 41.217 2.54122 528.9 100.0 100.0 5.7 48 3 -2 2 20.902 41.803 2.50714 51.8 9.8 9.8 5.7 49 -4 3 1 21.159 42.318 2.47802 9.7 1.8 1.8 5.7 50 0 -3 3 21.24 42.48 2.46898 22.2 4.2 4.2 5.7 51 2 1 1 21.379 42.758 2.45368 65.8 12.4 12.4 5.7 52 2 -2 3 21.736 43.472 2.41528 187.7 35.5 35.4 5.7 53 -2 -2 1 21.805 43.61 2.40803 129.9 24.6 24.5 5.7 54 4 -3 1 21.848 43.696 2.40352 20.6 3.9 3.9 5.7 55 3 -4 2 22.021 44.041 2.3856 7.3 1.4 1.4 5.7 56 -3 1 3 22.079 44.158 2.37961 40.8 7.7 7.7 5.7 57 -4 2 2 22.353 44.706 2.35191 23.1 4.4 4.4 5.7 58 -4 4 0 22.392 44.783 2.34808 20.9 4.0 3.9 5.7 59 -1 4 0 22.458 44.915 2.34151 31.4 5.9 5.9 5.7 60 -3 -1 1 22.754 45.509 2.31258 21.7 4.1 4.1 5.7 61 4 -2 1 22.788 45.576 2.30934 103.0 19.5 19.4 5.7 62 2 -4 3 23.753 47.507 2.2206 9.5 1.8 1.8 5.7 63 -4 4 1 23.815 47.629 2.21522 38.7 7.3 7.3 5.7 64 0 -2 4 23.959 47.918 2.20267 17.0 3.2 3.2 5.7 65 -1 -3 3 24.03 48.06 2.19654 15.4 2.9 2.9 5.7 66 0 -4 2 24.059 48.118 2.19404 20.1 3.8 3.8 5.7 67 0 -1 4 24.16 48.32 2.18541 7.6 1.4 1.4 5.7 68 0 -4 1 24.284 48.569 2.17489 9.7 1.8 1.8 5.7 69 3 -5 1 24.472 48.943 2.15926 18.5 3.5 3.5 5.7 70 -1 0 4 24.62 49.24 2.14706 30.1 5.7 5.6 5.7 71 -3 -1 3 24.857 49.713 2.1279 8.7 1.6 1.6 5.7 72 -2 0 4 24.92 49.84 2.12284 232.1 43.9 43.5 5.7 73 3 -3 3 24.968 49.935 2.11904 9.1 1.7 1.7 5.7 74 -4 0 1 25.057 50.113 2.11201 239.5 45.3 44.8 5.7 75 4 -4 2 25.272 50.545 2.09514 52.7 10.0 9.9 5.8 76 2 -5 2 25.346 50.691 2.08948 7.9 1.5 1.5 5.8 77 4 -1 1 25.556 51.112 2.07343 209.8 39.7 39.2 5.8 78 0 -3 4 25.61 51.221 2.06933 7.5 1.4 1.4 5.8 79 0 -4 3 25.666 51.332 2.06514 13.5 2.5 2.5 5.8 80 -2 1 4 26.402 52.804 2.01151 71.8 13.6 13.4 5.8 81 -2 5 0 26.53 53.059 2.00255 70.1 13.3 13.1 5.8 82 4 0 0 26.628 53.256 1.9957 26.3 5.0 4.9 5.8 83 -4 4 2 26.943 53.886 1.97409 79.3 15.0 14.8 5.8 84 -3 0 4 27.037 54.074 1.96774 10.3 1.9 1.9 5.8 85 -4 0 3 27.228 54.456 1.95496 8.3 1.6 1.5 5.8 86 2 -3 4 27.264 54.529 1.95255 28.0 5.3 5.2 5.8 87 -2 -3 2 27.352 54.703 1.9468 24.8 4.7 4.6 5.8 88 1 -5 1 27.41 54.821 1.94295 16.6 3.1 3.1 5.8 89 -3 -2 2 27.651 55.301 1.92739 5.3 1.0 1.0 5.8 90 2 -2 4 27.933 55.867 1.90942 48.7 9.2 9.0 5.8 91 -4 5 1 27.995 55.991 1.90554 19.6 3.7 3.6 5.8 92 -2 -3 1 28.042 56.085 1.9026 22.7 4.3 4.2 5.8 93 5 -5 1 28.774 57.548 1.85821 9.6 1.8 1.8 5.8 94 1 0 4 29.396 58.791 1.82232 7.7 1.5 1.4 5.8 95 -2 2 4 29.5 59.0 1.81645 15.0 2.8 2.8 5.8 96 -2 5 1 29.61 59.221 1.81028 15.7 3.0 2.9 5.8 97 4 -1 2 29.763 59.526 1.80185 39.9 7.5 7.4 5.8 98 -5 2 3 29.849 59.698 1.79713 7.8 1.5 1.4 5.8 99 5 -4 2 29.937 59.874 1.79233 6.7 1.3 1.2 5.8 100 3 -6 2 30.138 60.276 1.78149 10.1 1.9 1.9 5.8 101 2 -1 4 30.236 60.472 1.77625 18.1 3.4 3.3 5.8 102 2 3 0 30.348 60.695 1.77035 14.7 2.8 2.7 5.8 103 3 2 0 30.439 60.878 1.76553 7.6 1.4 1.4 5.8 104 3 -4 4 30.542 61.083 1.76017 9.8 1.9 1.8 5.8 105 -5 1 3 30.665 61.33 1.75378 11.6 2.2 2.1 5.8 106 -4 0 4 30.711 61.423 1.7514 7.8 1.5 1.4 5.8 107 5 -3 2 30.765 61.53 1.74865 5.4 1.0 1.0 5.8 108 -2 -3 4 30.935 61.87 1.73998 55.6 10.5 10.3 5.8 109 0 -1 5 31.123 62.246 1.7305 37.7 7.1 6.9 5.8 110 0 -5 3 31.209 62.419 1.7262 6.1 1.1 1.1 5.8 111 0 -5 1 31.291 62.582 1.72214 34.7 6.6 6.4 5.8 112 1 4 0 31.436 62.873 1.71499 6.7 1.3 1.2 5.9 113 -5 0 2 31.842 63.683 1.69542 14.1 2.7 2.6 5.9 114 2 1 3 32.18 64.359 1.67951 17.3 3.3 3.2 5.9 115 3 -2 4 32.227 64.453 1.67732 26.6 5.0 4.9 5.9 116 -6 3 2 32.3 64.601 1.6739 9.7 1.8 1.8 5.9 117 -6 5 0 32.332 64.663 1.67246 8.9 1.7 1.6 5.9 118 -1 5 1 32.816 65.632 1.65048 10.8 2.1 2.0 5.9 119 -6 4 2 32.999 65.999 1.64232 33.8 6.4 6.2 5.9 120 -2 1 5 33.227 66.454 1.63235 62.9 11.9 11.5 5.9 121 -3 -1 5 33.282 66.563 1.62999 7.5 1.4 1.4 5.9 122 -2 6 0 33.399 66.799 1.6249 120.1 22.7 21.9 5.9 123 0 -5 4 33.483 66.967 1.62129 52.8 10.0 9.6 5.9 124 1 -6 2 33.654 67.307 1.61405 6.5 1.2 1.2 5.9 125 0 3 3 33.755 67.51 1.60977 46.7 8.8 8.5 5.9 126 -3 -3 3 33.852 67.704 1.6057 14.2 2.7 2.6 5.9 127 6 -3 1 33.948 67.897 1.60169 5.9 1.1 1.1 5.9 128 5 0 0 34.073 68.145 1.59656 8.7 1.6 1.6 5.9 129 5 -5 3 34.12 68.241 1.5946 13.0 2.5 2.4 5.9 130 4 0 2 34.26 68.52 1.58887 55.6 10.5 10.1 5.9 131 -3 -3 1 34.613 69.226 1.57468 10.8 2.0 2.0 5.9 132 -6 2 3 35.003 70.006 1.55932 52.4 9.9 9.5 5.9 133 6 -6 1 35.063 70.126 1.55699 52.4 9.9 9.5 5.9 134 5 -3 3 35.366 70.732 1.54537 14.3 2.7 2.6 5.9 135 -6 1 2 35.488 70.977 1.54074 17.2 3.3 3.1 5.9 136 1 -5 5 35.694 71.388 1.53303 5.7 1.1 1.0 5.9 137 6 -4 2 35.726 71.452 1.53185 15.6 3.0 2.8 5.9 138 -4 5 3 36.206 72.412 1.51425 130.2 24.6 23.6 5.9 139 -2 2 5 36.563 73.126 1.50151 16.6 3.1 3.0 6.0 140 4 -6 4 36.708 73.417 1.4964 173.2 32.7 31.3 6.0 141 6 -6 2 36.744 73.488 1.49516 117.0 22.1 21.1 6.0 142 3 -7 3 36.974 73.948 1.48716 7.5 1.4 1.3 6.0 143 -4 4 4 37.039 74.078 1.48494 30.9 5.8 5.6 6.0 144 0 -5 5 37.142 74.285 1.48139 131.6 24.9 23.7 6.0 145 -5 -1 1 37.177 74.355 1.4802 13.6 2.6 2.4 6.0 146 3 -5 5 37.314 74.628 1.47556 8.1 1.5 1.5 6.0 147 2 -1 5 37.469 74.938 1.47035 148.1 28.0 26.7 6.0 148 0 -3 6 37.526 75.052 1.46845 24.9 4.7 4.5 6.0 149 2 4 0 37.627 75.253 1.46509 141.2 26.7 25.4 6.0 150 0 -6 3 37.699 75.398 1.46269 26.2 5.0 4.7 6.0 151 -7 3 1 37.908 75.816 1.45583 9.5 1.8 1.7 6.0 152 3 1 3 38.495 76.989 1.43702 17.2 3.3 3.1 6.0 153 -6 3 4 38.626 77.252 1.4329 6.4 1.2 1.2 6.0 154 -6 7 0 38.735 77.469 1.4295 8.2 1.6 1.5 6.0 155 7 -5 1 38.777 77.555 1.42818 7.5 1.4 1.3 6.0 156 3 2 2 38.957 77.913 1.42264 10.6 2.0 1.9 6.0 157 -6 0 2 39.208 78.416 1.41498 5.8 1.1 1.0 6.0 158 5 -4 4 39.254 78.508 1.41359 9.8 1.8 1.7 6.0 159 -6 1 4 39.331 78.663 1.41125 7.7 1.5 1.4 6.0 160 6 -7 2 39.418 78.835 1.40867 11.1 2.1 2.0 6.0 161 6 -4 3 39.982 79.964 1.39205 17.2 3.3 3.1 6.0 162 -6 0 1 40.026 80.051 1.39079 18.3 3.5 3.3 6.0 163 -6 4 4 40.424 80.848 1.37941 5.8 1.1 1.0 6.1 164 -6 7 1 40.523 81.047 1.37661 12.3 2.3 2.2 6.1 165 0 3 4 40.599 81.199 1.37447 8.0 1.5 1.4 6.1 166 0 4 3 40.643 81.287 1.37324 8.6 1.6 1.5 6.1 167 -3 -2 6 40.675 81.35 1.37236 6.2 1.2 1.1 6.1 168 1 -7 3 41.06 82.119 1.36175 9.9 1.9 1.8 6.1 169 -3 -4 4 41.231 82.462 1.3571 13.5 2.6 2.4 6.1 170 -2 6 2 41.342 82.685 1.3541 15.1 2.9 2.7 6.1 171 2 0 5 41.474 82.948 1.35057 26.9 5.1 4.8 6.1 172 4 -6 5 41.63 83.261 1.34643 46.5 8.8 8.2 6.1 173 -4 -3 4 41.676 83.353 1.34521 20.5 3.9 3.6 6.1 174 -7 6 2 41.799 83.598 1.34198 23.5 4.4 4.1 6.1 175 -5 -2 2 41.878 83.755 1.33993 11.8 2.2 2.1 6.1 176 7 -7 1 41.928 83.856 1.33862 12.2 2.3 2.1 6.1 177 -4 5 4 42.114 84.228 1.33381 26.3 5.0 4.6 6.1 178 -4 6 3 42.159 84.317 1.33265 34.3 6.5 6.0 6.1 179 -4 -1 6 42.301 84.603 1.329 23.4 4.4 4.1 6.1 180 4 -8 3 42.48 84.96 1.32447 23.7 4.5 4.2 6.1 181 -1 4 4 42.976 85.951 1.31213 7.4 1.4 1.3 6.1 182 1 5 1 43.174 86.348 1.30727 5.9 1.1 1.0 6.1 183 3 -7 5 43.217 86.434 1.30623 5.3 1.0 0.9 6.1 184 -1 5 3 43.441 86.882 1.30083 13.1 2.5 2.3 6.1 185 -8 5 1 43.513 87.026 1.29911 7.8 1.5 1.4 6.1 186 -6 3 5 43.752 87.505 1.29343 22.1 4.2 3.9 6.2 187 -6 8 0 43.916 87.832 1.28958 22.0 4.2 3.8 6.2 188 -1 3 5 44.184 88.367 1.28337 9.7 1.8 1.7 6.2 189 2 -6 6 44.262 88.523 1.28158 14.5 2.7 2.5 6.2 190 4 -7 5 44.345 88.689 1.27968 50.5 9.6 8.8 6.2 191 -8 5 2 44.57 89.14 1.27456 30.2 5.7 5.3 6.2 192 5 -5 5 44.709 89.419 1.27142 5.9 1.1 1.0 6.2 193 -8 4 0 44.746 89.491 1.27061 12.9 2.4 2.2 6.2 194 0 -3 7 44.978 89.957 1.26543 8.3 1.6 1.4 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) |