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 *** *********************** STAVELOTITE-(LA) 1 La(3)Mn''(3)Cu''(Mn''',Fe''',Mn'''')(26)[Si(2)O(7)](6)O(30) Hexagonal P 3(1) Z = 3 P3(1) 26 .2 .16 Ref.Str.: Bernhardt H.J., Armbruster T., Fransolet A.M., Schreyer W. (2005) Eur. J. Mineral., 17, 703-714 L: $La3 Mn2+3 Mn19 Fe3+7 Cu2+1 Si12 O72$ R: Locality - Stavelot Massif, Le Coreux, Salmchateau, Belgium. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 11.525 alpha = 90.0 b = 11.525 beta = 90.0 c = 33.347 gamma = 120.0 Unit cell volume (cub. angs.) = 3835.92 Molar volume ( cub.cm/mol.) = 770.17 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.5668 0.7852 0.1895 0.0 La = 1.00 2 0.2129 0.1087 0.1898 0.0 La = 1.00 3 0.8894 0.4356 0.1894 0.0 La = 1.00 4 0.5579 0.952 0.2772 0.0 Mn = 0.72, Fe = 0.28 5 0.3631 0.1101 0.2791 0.0 Mn = 0.72, Fe = 0.28 6 0.4145 0.6357 0.279 0.0 Mn = 0.72, Fe = 0.28 7 0.7339 0.7774 0.279 0.0 Mn = 0.72, Fe = 0.28 8 0.0435 0.9326 0.2788 0.0 Mn = 1.00 9 0.2218 0.286 0.2769 0.0 Mn = 0.72, Fe = 0.28 10 0.715 0.2654 0.2784 0.0 Mn = 0.72, Fe = 0.28 11 0.0633 0.44 0.2783 0.0 Mn = 0.72, Fe = 0.28 12 0.8885 0.5852 0.2782 0.0 Mn = 0.72, Fe = 0.28 13 0.2175 0.2707 0.0236 0.0 Mn = 0.72, Fe = 0.28 14 0.0504 0.4387 0.0189 0.0 Mn = 0.72, Fe = 0.28 15 0.5541 0.445 0.0243 0.0 Mn = 1.00 16 0.22 0.771 0.0239 0.0 Mn = 1.00 17 0.8795 0.1082 0.0239 0.0 Mn = 1.00 18 0.3862 0.2806 0.3531 0.0 Mn = 0.72, Fe = 0.28 19 0.2165 0.942 0.3515 0.0 Mn = 0.72, Fe = 0.28 20 0.7188 0.4335 0.3547 0.0 Mn = 0.72, Fe = 0.28 21 0.8939 0.2765 0.3558 0.0 Mn = 0.72, Fe = 0.28 22 0.3958 0.7877 0.3552 0.0 Mn = 0.72, Fe = 0.28 23 0.06 0.6086 0.3531 0.0 Mn = 0.72, Fe = 0.28 24 0.0565 0.1111 0.358 0.0 Cu = 1.00 25 0.3755 0.2641 0.1013 0.0 Mn = 0.72, Fe = 0.28 26 0.7232 0.9443 0.0996 0.0 Mn = 0.72, Fe = 0.28 27 0.0564 0.6108 0.0999 0.0 Mn = 0.72, Fe = 0.28 28 0.2188 0.937 0.102 0.0 Mn = 0.72, Fe = 0.28 29 0.5569 0.6064 0.1006 0.0 Mn = 0.72, Fe = 0.28 30 0.7165 0.4427 0.1001 0.0 Mn = 0.72, Fe = 0.28 31 0.3988 0.7746 0.0997 0.0 Mn = 0.72, Fe = 0.28 32 0.0484 0.1053 0.1014 0.0 Mn = 0.72, Fe = 0.28 33 0.8853 0.2852 0.0987 0.0 Mn = 0.72, Fe = 0.28 34 0.2378 0.4605 0.206 0.0 Si = 1.00 35 0.5482 0.4339 0.1719 0.0 Si = 1.00 36 0.5379 0.1097 0.2069 0.0 Si = 1.00 37 0.2247 0.7697 0.172 0.0 Si = 1.00 38 0.8871 0.7588 0.2065 0.0 Si = 1.00 39 0.8855 0.11 0.1716 0.0 Si = 1.00 40 0.2228 0.7759 0.2683 0.0 Si = 1.00 41 0.5553 0.4453 0.2681 0.0 Si = 1.00 42 0.8916 0.11 0.2682 0.0 Si = 1.00 43 0.5519 0.1058 0.1099 0.0 Si = 1.00 44 0.2232 0.4442 0.1108 0.0 Si = 1.00 45 0.886 0.772 0.1106 0.0 Si = 1.00 46 0.229 0.775 0.221 0.0 O = 1.00 47 0.89 0.117 0.2189 0.0 O = 1.00 48 0.538 0.973 0.22 0.0 O = 1.00 49 0.1 0.457 0.2207 0.0 O = 1.00 50 0.374 0.596 0.2225 0.0 O = 1.00 51 0.024 0.892 0.2213 0.0 O = 1.00 52 0.555 0.634 0.0397 0.0 O = 1.00 53 0.081 0.108 0.0443 0.0 O = 1.00 54 0.358 0.246 0.0471 0.0 O = 1.00 55 0.189 0.112 0.2656 0.0 O = 1.00 56 0.358 0.779 0.2852 0.0 O = 1.00 57 0.572 0.583 0.288 0.0 O = 1.00 58 0.882 0.622 0.2219 0.0 O = 1.00 59 0.094 0.636 0.2879 0.0 O = 1.00 60 0.035 0.587 0.0415 0.0 O = 1.00 61 0.544 0.429 0.0878 0.0 O = 1.00 62 0.882 0.306 0.0387 0.0 O = 1.00 63 0.249 0.476 0.2917 0.0 O = 1.00 64 0.033 0.253 0.3797 0.0 O = 1.00 65 0.555 0.299 0.3741 0.0 O = 1.00 66 0.085 0.435 0.0922 0.0 O = 1.00 67 0.23 0.643 0.3738 0.0 O = 1.00 68 0.57 0.991 0.0938 0.0 O = 1.00 69 0.343 0.554 0.0896 0.0 O = 1.00 70 0.425 0.098 0.0909 0.0 O = 1.00 71 0.667 0.225 0.0912 0.0 O = 1.00 72 0.224 0.313 0.0961 0.0 O = 1.00 73 0.536 0.105 0.1584 0.0 O = 1.00 74 0.884 0.761 0.1582 0.0 O = 1.00 75 0.361 0.78 0.1554 0.0 O = 1.00 76 0.084 0.639 0.1538 0.0 O = 1.00 77 0.414 0.299 0.1552 0.0 O = 1.00 78 0.02 0.115 0.157 0.0 O = 1.00 79 0.225 0.448 0.1589 0.0 O = 1.00 80 0.572 0.776 0.1121 0.0 O = 1.00 81 0.205 0.093 0.1161 0.0 O = 1.00 82 0.88 0.444 0.1141 0.0 O = 1.00 83 0.886 0.111 0.0876 0.0 O = 1.00 84 0.693 0.922 0.0412 0.0 O = 1.00 85 0.015 0.781 0.0905 0.0 O = 1.00 86 0.863 0.895 0.0956 0.0 O = 1.00 87 0.749 0.633 0.0977 0.0 O = 1.00 88 0.012 0.224 0.2873 0.0 O = 1.00 89 0.886 0.745 0.292 0.0 O = 1.00 90 0.07 0.969 0.336 0.0 O = 1.00 91 0.431 0.654 0.3387 0.0 O = 1.00 92 0.213 0.254 0.3373 0.0 O = 1.00 93 0.346 0.11 0.335 0.0 O = 1.00 94 0.031 0.435 0.3358 0.0 O = 1.00 95 0.89 0.566 0.3375 0.0 O = 1.00 96 0.567 0.927 0.3379 0.0 O = 1.00 97 0.523 0.111 0.2895 0.0 O = 1.00 98 0.704 0.786 0.3363 0.0 O = 1.00 99 0.748 0.289 0.3363 0.0 O = 1.00 100 0.679 0.436 0.1554 0.0 O = 1.00 101 0.672 0.247 0.2198 0.0 O = 1.00 102 0.235 0.323 0.2201 0.0 O = 1.00 103 0.558 0.44 0.2217 0.0 O = 1.00 104 0.55 0.57 0.1556 0.0 O = 1.00 105 0.885 0.249 0.157 0.0 O = 1.00 106 0.756 0.98 0.1529 0.0 O = 1.00 107 0.224 0.774 0.0872 0.0 O = 1.00 108 0.676 0.428 0.2869 0.0 O = 1.00 109 0.221 0.913 0.2855 0.0 O = 1.00 110 0.416 0.313 0.2851 0.0 O = 1.00 111 0.225 0.909 0.1572 0.0 O = 1.00 112 0.873 0.964 0.2839 0.0 O = 1.00 113 0.76 0.113 0.2834 0.0 O = 1.00 114 0.591 0.814 0.2655 0.0 O = 1.00 115 0.886 0.409 0.2638 0.0 O = 1.00 116 0.755 0.761 0.2235 0.0 O = 1.00 117 0.408 0.109 0.2226 0.0 O = 1.00 118 0.189 0.112 0.2656 0.0 O = 1.00 119 0.358 0.779 0.2852 0.0 O = 1.00 120 0.572 0.583 0.288 0.0 O = 1.00 121 0.882 0.622 0.2219 0.0 O = 1.00 122 0.094 0.636 0.2879 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.5668 0.7852 0.1895 2 2 0.2129 0.1087 0.1898 3 3 0.8894 0.4356 0.1894 4 4 0.5579 0.952 0.2772 5 5 0.3631 0.1101 0.2791 6 6 0.4145 0.6357 0.279 7 7 0.7339 0.7774 0.279 8 8 0.0435 0.9326 0.2788 9 9 0.2218 0.286 0.2769 10 10 0.715 0.2654 0.2784 11 11 0.0633 0.44 0.2783 12 12 0.8885 0.5852 0.2782 13 13 0.2175 0.2707 0.0236 14 14 0.0504 0.4387 0.0189 15 15 0.5541 0.445 0.0243 16 16 0.22 0.771 0.0239 17 17 0.8795 0.1082 0.0239 18 18 0.3862 0.2806 0.3531 19 19 0.2165 0.942 0.3515 20 20 0.7188 0.4335 0.3547 21 21 0.8939 0.2765 0.3558 22 22 0.3958 0.7877 0.3552 23 23 0.06 0.6086 0.3531 24 24 0.0565 0.1111 0.358 25 25 0.3755 0.2641 0.1013 26 26 0.7232 0.9443 0.0996 27 27 0.0564 0.6108 0.0999 28 28 0.2188 0.937 0.102 29 29 0.5569 0.6064 0.1006 30 30 0.7165 0.4427 0.1001 31 31 0.3988 0.7746 0.0997 32 32 0.0484 0.1053 0.1014 33 33 0.8853 0.2852 0.0987 34 34 0.2378 0.4605 0.206 35 35 0.5482 0.4339 0.1719 36 36 0.5379 0.1097 0.2069 37 37 0.2247 0.7697 0.172 38 38 0.8871 0.7588 0.2065 39 39 0.8855 0.11 0.1716 40 40 0.2228 0.7759 0.2683 41 41 0.5553 0.4453 0.2681 42 42 0.8916 0.11 0.2682 43 43 0.5519 0.1058 0.1099 44 44 0.2232 0.4442 0.1108 45 45 0.886 0.772 0.1106 46 46 0.229 0.775 0.221 47 47 0.89 0.117 0.2189 48 48 0.538 0.973 0.22 49 49 0.1 0.457 0.2207 50 50 0.374 0.596 0.2225 51 51 0.024 0.892 0.2213 52 52 0.555 0.634 0.0397 53 53 0.081 0.108 0.0443 54 54 0.358 0.246 0.0471 55 55 0.189 0.112 0.2656 56 56 0.358 0.779 0.2852 57 57 0.572 0.583 0.288 58 58 0.882 0.622 0.2219 59 59 0.094 0.636 0.2879 60 60 0.035 0.587 0.0415 61 61 0.544 0.429 0.0878 62 62 0.882 0.306 0.0387 63 63 0.249 0.476 0.2917 64 64 0.033 0.253 0.3797 65 65 0.555 0.299 0.3741 66 66 0.085 0.435 0.0922 67 67 0.23 0.643 0.3738 68 68 0.57 0.991 0.0938 69 69 0.343 0.554 0.0896 70 70 0.425 0.098 0.0909 71 71 0.667 0.225 0.0912 72 72 0.224 0.313 0.0961 73 73 0.536 0.105 0.1584 74 74 0.884 0.761 0.1582 75 75 0.361 0.78 0.1554 76 76 0.084 0.639 0.1538 77 77 0.414 0.299 0.1552 78 78 0.02 0.115 0.157 79 79 0.225 0.448 0.1589 80 80 0.572 0.776 0.1121 81 81 0.205 0.093 0.1161 82 82 0.88 0.444 0.1141 83 83 0.886 0.111 0.0876 84 84 0.693 0.922 0.0412 85 85 0.015 0.781 0.0905 86 86 0.863 0.895 0.0956 87 87 0.749 0.633 0.0977 88 88 0.012 0.224 0.2873 89 89 0.886 0.745 0.292 90 90 0.07 0.969 0.336 91 91 0.431 0.654 0.3387 92 92 0.213 0.254 0.3373 93 93 0.346 0.11 0.335 94 94 0.031 0.435 0.3358 95 95 0.89 0.566 0.3375 96 96 0.567 0.927 0.3379 97 97 0.523 0.111 0.2895 98 98 0.704 0.786 0.3363 99 99 0.748 0.289 0.3363 100 100 0.679 0.436 0.1554 101 101 0.672 0.247 0.2198 102 102 0.235 0.323 0.2201 103 103 0.558 0.44 0.2217 104 104 0.55 0.57 0.1556 105 105 0.885 0.249 0.157 106 106 0.756 0.98 0.1529 107 107 0.224 0.774 0.0872 108 108 0.676 0.428 0.2869 109 109 0.221 0.913 0.2855 110 110 0.416 0.313 0.2851 111 111 0.225 0.909 0.1572 112 112 0.873 0.964 0.2839 113 113 0.76 0.113 0.2834 114 114 0.591 0.814 0.2655 115 115 0.886 0.409 0.2638 116 116 0.755 0.761 0.2235 117 117 0.408 0.109 0.2226 118 118 0.189 0.112 0.2656 119 119 0.358 0.779 0.2852 120 120 0.572 0.583 0.288 121 121 0.882 0.622 0.2219 122 122 0.094 0.636 0.2879 123 1 0.2148 0.7816 0.5228 124 1 0.2184 0.4332 0.8562 125 2 0.8913 0.1042 0.5231 126 2 0.8958 0.7871 0.8565 127 3 0.5644 0.4538 0.5227 128 3 0.5462 0.1106 0.8561 129 4 0.048 0.6059 0.6105 130 4 0.3941 0.4421 0.9439 131 5 0.8899 0.253 0.6124 132 5 0.747 0.6369 0.9458 133 6 0.3643 0.7788 0.6123 134 6 0.2212 0.5855 0.9457 135 7 0.2226 0.9565 0.6123 136 7 0.0435 0.2661 0.9457 137 8 0.0674 0.1109 0.6121 138 8 0.8891 0.9565 0.9455 139 9 0.714 0.9358 0.6102 140 9 0.0642 0.7782 0.9436 141 10 0.7346 0.4496 0.6117 142 10 0.5504 0.285 0.9451 143 11 0.56 0.6233 0.6116 144 11 0.3767 0.9367 0.945 145 12 0.4148 0.3033 0.6115 146 12 0.6967 0.1115 0.9449 147 13 0.7293 0.9468 0.3569 148 13 0.0532 0.7825 0.6903 149 14 0.5613 0.6117 0.3522 150 14 0.3883 0.9496 0.6856 151 15 0.555 0.1091 0.3576 152 15 0.8909 0.4459 0.691 153 16 0.229 0.449 0.3572 154 16 0.551 0.78 0.6906 155 17 0.8918 0.7713 0.3572 156 17 0.2287 0.1205 0.6906 157 18 0.7194 0.1056 0.6864 158 18 0.8944 0.6138 0.0198 159 19 0.058 0.2745 0.6848 160 19 0.7255 0.7835 0.0182 161 20 0.5665 0.2853 0.688 162 20 0.7147 0.2812 0.0214 163 21 0.7235 0.6174 0.6891 164 21 0.3826 0.1061 0.0225 165 22 0.2123 0.6081 0.6885 166 22 0.3919 0.6042 0.0219 167 23 0.3914 0.4514 0.6864 168 23 0.5486 0.94 0.0198 169 24 0.8889 0.9454 0.6913 170 24 0.0546 0.9435 0.0247 171 25 0.7359 0.1114 0.4346 172 25 0.8886 0.6245 0.768 173 26 0.0557 0.7789 0.4329 174 26 0.2211 0.2768 0.7663 175 27 0.3892 0.4456 0.4332 176 27 0.5544 0.9436 0.7666 177 28 0.063 0.2818 0.4353 178 28 0.7182 0.7812 0.7687 179 29 0.3936 0.9505 0.4339 180 29 0.0495 0.4431 0.7673 181 30 0.5573 0.2738 0.4334 182 30 0.7262 0.2835 0.7668 183 31 0.2254 0.6242 0.433 184 31 0.3758 0.6012 0.7664 185 32 0.8947 0.9431 0.4347 186 32 0.0569 0.9516 0.7681 187 33 0.7148 0.6001 0.432 188 33 0.3999 0.1147 0.7654 189 34 0.5395 0.7773 0.5393 190 34 0.2227 0.7622 0.8727 191 35 0.5661 0.1143 0.5052 192 35 0.8857 0.4518 0.8386 193 36 0.8903 0.4282 0.5402 194 36 0.5718 0.4621 0.8736 195 37 0.2303 0.455 0.5053 196 37 0.545 0.7753 0.8387 197 38 0.2412 0.1283 0.5398 198 38 0.8717 0.1129 0.8732 199 39 0.89 0.7755 0.5049 200 39 0.2245 0.1145 0.8383 201 40 0.2241 0.4469 0.6016 202 40 0.5531 0.7772 0.935 203 41 0.5547 0.11 0.6014 204 41 0.89 0.4447 0.9348 205 42 0.89 0.7816 0.6015 206 42 0.2184 0.1084 0.9349 207 43 0.8942 0.4461 0.4432 208 43 0.5539 0.4481 0.7766 209 44 0.5558 0.779 0.4441 210 44 0.221 0.7768 0.7775 211 45 0.228 0.114 0.4439 212 45 0.886 0.114 0.7773 213 46 0.225 0.454 0.5543 214 46 0.546 0.771 0.8877 215 47 0.883 0.773 0.5522 216 47 0.227 0.11 0.8856 217 48 0.027 0.565 0.5533 218 48 0.435 0.462 0.8867 219 49 0.543 0.643 0.554 220 49 0.357 0.9 0.8874 221 50 0.404 0.778 0.5558 222 50 0.222 0.626 0.8892 223 51 0.108 0.132 0.5546 224 51 0.868 0.976 0.888 225 52 0.366 0.921 0.373 226 52 0.079 0.445 0.7064 227 53 0.892 0.973 0.3776 228 53 0.027 0.919 0.711 229 54 0.754 0.112 0.3804 230 54 0.888 0.642 0.7138 231 55 0.888 0.077 0.5989 232 55 0.923 0.811 0.9323 233 56 0.221 0.579 0.6185 234 56 0.421 0.642 0.9519 235 57 0.417 0.989 0.6213 236 57 0.011 0.428 0.9547 237 58 0.378 0.26 0.5552 238 58 0.74 0.118 0.8886 239 59 0.364 0.458 0.6212 240 59 0.542 0.906 0.9546 241 60 0.413 0.448 0.3748 242 60 0.552 0.965 0.7082 243 61 0.571 0.115 0.4211 244 61 0.885 0.456 0.7545 245 62 0.694 0.576 0.372 246 62 0.424 0.118 0.7054 247 63 0.524 0.773 0.625 248 63 0.227 0.751 0.9584 249 64 0.747 0.78 0.713 250 64 0.22 0.967 0.0464 251 65 0.701 0.256 0.7074 252 65 0.744 0.445 0.0408 253 66 0.565 0.65 0.4255 254 66 0.35 0.915 0.7589 255 67 0.357 0.587 0.7071 256 67 0.413 0.77 0.0405 257 68 0.009 0.579 0.4271 258 68 0.421 0.43 0.7605 259 69 0.446 0.789 0.4229 260 69 0.211 0.657 0.7563 261 70 0.902 0.327 0.4242 262 70 0.673 0.575 0.7576 263 71 0.775 0.442 0.4245 264 71 0.558 0.333 0.7579 265 72 0.687 0.911 0.4294 266 72 0.089 0.776 0.7628 267 73 0.895 0.431 0.4917 268 73 0.569 0.464 0.8251 269 74 0.239 0.123 0.4915 270 74 0.877 0.116 0.8249 271 75 0.22 0.581 0.4887 272 75 0.419 0.639 0.8221 273 76 0.361 0.445 0.4871 274 76 0.555 0.916 0.8205 275 77 0.701 0.115 0.4885 276 77 0.885 0.586 0.8219 277 78 0.885 0.905 0.4903 278 78 0.095 0.98 0.8237 279 79 0.552 0.777 0.4922 280 79 0.223 0.775 0.8256 281 80 0.224 0.796 0.4454 282 80 0.204 0.428 0.7788 283 81 0.907 0.112 0.4494 284 81 0.888 0.795 0.7828 285 82 0.556 0.436 0.4474 286 82 0.564 0.12 0.7808 287 83 0.889 0.775 0.4209 288 83 0.225 0.114 0.7543 289 84 0.078 0.771 0.3745 290 84 0.229 0.307 0.7079 291 85 0.219 0.234 0.4238 292 85 0.766 0.985 0.7572 293 86 0.105 0.968 0.4289 294 86 0.032 0.137 0.7623 295 87 0.367 0.116 0.431 296 87 0.884 0.251 0.7644 297 88 0.776 0.788 0.6206 298 88 0.212 0.988 0.954 299 89 0.255 0.141 0.6253 300 89 0.859 0.114 0.9587 301 90 0.031 0.101 0.6693 302 90 0.899 0.93 0.0027 303 91 0.346 0.777 0.672 304 91 0.223 0.569 0.0054 305 92 0.746 0.959 0.6706 306 92 0.041 0.787 0.004 307 93 0.89 0.236 0.6683 308 93 0.764 0.654 0.0017 309 94 0.565 0.596 0.6691 310 94 0.404 0.969 0.0025 311 95 0.434 0.324 0.6708 312 95 0.676 0.11 0.0042 313 96 0.073 0.64 0.6712 314 96 0.36 0.433 0.0046 315 97 0.889 0.412 0.6228 316 97 0.588 0.477 0.9562 317 98 0.214 0.918 0.6696 318 98 0.082 0.296 0.003 319 99 0.711 0.459 0.6696 320 99 0.541 0.252 0.003 321 100 0.564 0.243 0.4887 322 100 0.757 0.321 0.8221 323 101 0.753 0.425 0.5531 324 101 0.575 0.328 0.8865 325 102 0.677 0.912 0.5534 326 102 0.088 0.765 0.8868 327 103 0.56 0.118 0.555 328 103 0.882 0.442 0.8884 329 104 0.43 0.98 0.4889 330 104 0.02 0.45 0.8223 331 105 0.751 0.636 0.4903 332 105 0.364 0.115 0.8237 333 106 0.02 0.776 0.4862 334 106 0.224 0.244 0.8196 335 107 0.226 0.45 0.4205 336 107 0.55 0.776 0.7539 337 108 0.572 0.248 0.6202 338 108 0.752 0.324 0.9536 339 109 0.087 0.308 0.6188 340 109 0.692 0.779 0.9522 341 110 0.687 0.103 0.6184 342 110 0.897 0.584 0.9518 343 111 0.091 0.316 0.4905 344 111 0.684 0.775 0.8239 345 112 0.036 0.909 0.6172 346 112 0.091 0.127 0.9506 347 113 0.887 0.647 0.6167 348 113 0.353 0.24 0.9501 349 114 0.186 0.777 0.5988 350 114 0.223 0.409 0.9322 351 115 0.591 0.477 0.5971 352 115 0.523 0.114 0.9305 353 116 0.239 0.994 0.5568 354 116 0.006 0.245 0.8902 355 117 0.891 0.299 0.5559 356 117 0.701 0.592 0.8893 357 118 0.888 0.077 0.5989 358 118 0.923 0.811 0.9323 359 119 0.221 0.579 0.6185 360 119 0.421 0.642 0.9519 361 120 0.417 0.989 0.6213 362 120 0.011 0.428 0.9547 363 121 0.378 0.26 0.5552 364 121 0.74 0.118 0.8886 365 122 0.364 0.458 0.6212 366 122 0.542 0.906 0.9546 X-ray density (g/cm cub.) = 4.74 MU (1/cm) = 383.602 Mass attenuation coefficient (cm**2/g) = 80.979 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 La 2.88 8 2.5588 48 2.4613 50 2.6039 75 2.5852 80 2.6432 104 2.5277 106 2.5531 114 2.5832 116 2 La 2.88 9 2.5774 51 2.545 55 2.5357 77 2.5111 78 2.4627 81 2.5606 102 2.6114 111 2.4989 117 2.545 118 3 La 2.88 9 2.5383 49 2.4454 58 2.584 76 2.5173 82 2.6789 100 2.5659 101 2.3845 105 2.4978 115 2.4454 121 4 Mn ,Fe 2.724 7 1.9507 48 2.1819 56 2.0546 96 2.1036 97 2.1422 113 1.8531 114 2.1819 119 5 Mn ,Fe 2.724 7 2.0672 55 1.8744 93 1.8701 97 2.0414 109 2.1105 110 1.9556 117 2.0672 118 6 Mn ,Fe 2.724 8 1.94 50 2.0663 56 2.2037 57 1.9221 63 2.001 91 2.0936 114 2.0663 119 2.2037 120 7 Mn ,Fe 2.724 7 2.1002 57 2.0136 89 1.9529 98 1.9427 112 1.9462 114 1.8884 116 2.1002 120 8 Mn 2.724 7 1.9598 51 1.9528 55 2.0588 89 1.9441 90 2.179 109 2.1754 112 1.9528 118 9 Mn ,Fe 2.724 7 1.8837 55 2.1096 63 2.1794 88 2.041 92 1.9307 102 2.1177 110 1.8837 118 10 Mn ,Fe 2.724 6 2.0646 97 1.9604 99 2.001 101 2.1532 108 2.0719 113 1.8969 115 11 Mn ,Fe 2.724 7 1.9555 49 2.1286 59 2.016 63 2.2726 88 1.9486 94 1.9511 115 2.1286 122 12 Mn ,Fe 2.724 8 1.9344 58 2.161 59 1.9125 89 1.9909 95 2.2198 108 2.0728 115 1.9344 121 2.161 122 13 Mn ,Fe 2.724 5 1.8755 53 1.9437 54 2.46 72 1.8781 96 1.8581 98 14 Mn ,Fe 2.724 7 1.9555 60 1.8904 62 2.4804 66 2.1805 57 1.8518 91 1.9285 98 2.1805 120 15 Mn 2.724 8 2.2329 52 2.4005 54 2.1237 61 2.2565 65 2.5293 93 2.2686 96 2.3039 97 2.2674 99 16 Mn 2.724 8 2.2059 60 2.1113 107 2.2034 63 2.3798 64 2.2976 67 2.4257 91 2.261 92 2.3187 94 17 Mn 2.724 8 2.421 53 2.3185 62 2.1252 83 2.2238 84 2.193 89 2.2873 90 2.4459 95 2.3596 98 18 Mn ,Fe 2.724 5 1.9767 65 1.935 92 1.8798 93 2.2959 110 1.9355 60 19 Mn ,Fe 2.724 5 1.9339 90 1.841 93 2.2306 109 1.99 52 1.9688 84 20 Mn ,Fe 2.724 6 1.8598 65 1.8817 95 1.9554 99 2.3082 108 1.8926 62 2.4059 71 21 Mn ,Fe 2.724 5 1.9269 64 1.8417 94 1.8744 99 1.9524 54 2.3453 70 22 Mn ,Fe 2.724 7 2.3675 56 1.9054 67 1.8619 91 1.9067 96 2.3675 119 1.8327 52 2.3297 69 23 Mn ,Fe 2.724 7 2.2038 59 1.9224 67 1.9439 94 1.8408 95 2.2038 122 2.5211 68 1.9152 84 24 Cu 2.808 5 1.9273 64 1.8706 90 1.8632 92 1.8811 53 2.7713 85 25 Mn ,Fe 2.724 6 1.819 54 1.9736 61 2.2809 70 2.0929 72 1.8468 77 2.0294 81 26 Mn ,Fe 2.724 6 2.0964 68 1.8954 80 1.9408 83 1.9724 84 1.9627 86 1.8209 106 27 Mn ,Fe 2.724 6 1.965 60 2.2243 66 1.8259 76 2.0358 82 2.2604 85 1.9532 107 28 Mn ,Fe 2.724 6 2.195 70 1.9403 81 2.1618 85 1.972 107 1.8763 111 1.8861 64 29 Mn ,Fe 2.724 6 2.0574 52 2.02 61 2.2556 69 1.9125 80 2.08 87 1.8743 104 30 Mn ,Fe 2.724 6 1.9575 61 2.2972 71 1.9341 82 2.0336 87 1.8868 100 2.0021 65 31 Mn ,Fe 2.724 6 2.2871 68 2.3143 69 1.9159 75 2.0307 80 2.0539 107 1.9852 67 32 Mn ,Fe 2.724 6 1.9381 53 2.2389 72 1.8958 78 1.9426 81 1.9601 83 2.3019 86 33 Mn ,Fe 2.724 6 2.0177 62 2.086 66 2.2645 71 1.931 82 2.0455 83 1.988 105 34 Si 2.1 4 1.6432 49 1.6596 50 1.5774 79 1.6377 102 35 Si 2.1 4 1.6477 77 1.5935 100 1.6636 103 1.6504 104 36 Si 2.1 4 1.6355 48 1.618 73 1.6223 101 1.5822 117 37 Si 2.1 4 1.635 46 1.613 75 1.6805 76 1.6779 111 38 Si 2.1 5 1.6332 51 1.631 58 1.6115 74 1.6366 116 1.631 121 39 Si 2.1 4 1.5789 47 1.5981 78 1.6771 105 1.6202 106 40 Si 2.1 6 1.5792 46 1.6405 56 1.6843 59 1.6908 109 1.6405 119 1.6843 122 41 Si 2.1 5 1.6403 57 1.5494 103 1.6264 108 1.6661 110 1.6403 120 42 Si 2.1 4 1.6465 47 1.4947 88 1.6705 112 1.6158 113 43 Si 2.1 4 1.5357 68 1.5547 70 1.4878 71 1.6272 73 44 Si 2.1 4 1.6625 66 1.5034 69 1.594 72 1.6044 79 45 Si 2.1 4 1.5916 74 1.5862 85 1.6449 86 1.6477 87 46 O 3.264 12 3.1248 48 3.1927 49 3.2401 50 3.2536 51 2.5937 56 2.7334 59 2.6487 75 2.7662 76 2.7039 109 2.6429 111 2.5937 119 2.7334 122 47 O 3.264 6 2.5575 78 2.6394 88 2.5819 105 2.6988 106 2.7387 112 2.6085 113 48 O 3.264 10 3.1248 46 3.0646 56 2.5631 73 3.0351 75 2.8646 97 2.735 101 3.0808 113 2.6744 114 2.6566 117 3.0646 119 49 O 3.264 11 3.1927 46 2.7355 50 3.07 59 2.8682 63 3.1301 76 2.5461 79 3.2324 88 2.685 102 3.234 105 2.6627 115 3.07 122 50 O 3.264 12 3.2401 46 2.7355 49 3.0402 56 3.216 57 2.7057 63 3.1375 75 2.7253 79 2.7261 102 3.1287 104 2.8879 114 3.0402 119 3.216 120 51 O 3.264 11 3.2536 46 2.7213 55 2.6961 58 2.6219 74 2.8747 89 3.0409 109 3.0854 111 3.0853 112 2.6862 116 2.7213 118 2.6961 121 52 O 3.264 8 2.8056 61 2.7085 69 2.8679 80 2.8758 84 2.9607 87 2.7749 67 2.6286 93 2.5659 96 53 O 3.264 9 2.7663 54 2.7181 72 2.8376 81 2.686 83 3.0162 86 2.7956 64 2.4966 90 2.5632 98 3.1317 112 54 O 3.264 9 2.7663 53 2.5228 61 2.6374 70 2.6161 72 2.8989 81 2.7848 64 2.5706 96 2.5444 99 3.2366 113 55 O 3.264 10 2.7213 51 2.9974 88 2.8015 90 2.8318 92 2.9449 93 2.6847 102 2.585 109 2.5638 110 3.2145 112 2.9181 117 56 O 3.264 10 2.5937 46 3.0646 48 3.0402 50 2.6396 59 3.0713 63 2.6792 91 2.7733 96 2.7049 109 2.5927 114 2.6396 122 57 O 3.264 10 3.216 50 3.1374 89 2.7383 91 2.6121 98 2.7137 103 2.602 108 2.7074 110 2.6675 114 2.9927 116 3.1542 62 58 O 3.264 11 2.6961 51 3.2319 59 2.6537 74 3.1874 76 2.7223 89 3.1577 100 3.242 103 3.1663 108 2.8449 115 2.6564 116 3.2319 122 59 O 3.264 13 2.7334 46 3.07 49 2.6396 56 3.2319 58 3.1467 63 3.2469 67 3.2179 89 2.6006 94 2.6491 95 2.7691 109 2.6392 115 2.6396 119 3.2319 121 60 O 3.264 8 2.8099 62 2.6961 66 2.9706 82 2.8701 85 2.649 107 2.9047 65 2.5768 91 2.5933 92 61 O 3.264 8 2.8056 52 2.5228 54 3.2457 72 2.7012 77 2.3799 87 2.7172 100 2.7649 104 2.7172 65 62 O 3.264 10 2.8099 60 2.7182 66 2.7862 71 2.9814 82 2.7956 83 3.1545 57 2.7655 65 2.5889 95 2.6482 98 3.1545 120 63 O 3.264 11 2.8682 49 2.7057 50 3.0713 56 3.1467 59 2.8256 88 2.6003 91 2.823 92 2.7406 94 2.9243 102 3.0713 119 3.1467 122 64 O 3.264 9 3.0957 88 2.5058 92 2.5674 94 2.7956 53 2.7848 54 2.5493 70 2.7923 81 2.6979 85 2.6279 107 65 O 3.264 9 2.6457 93 2.6089 99 3.2461 108 2.9047 60 2.717 61 2.7655 62 2.7918 71 2.9076 82 2.8596 87 66 O 3.264 8 2.6961 60 2.7182 62 2.5791 69 2.6101 72 3.1264 76 2.7076 79 2.5241 82 3.1043 105 67 O 3.264 10 3.2469 59 2.5414 91 2.6673 94 3.2469 122 2.7749 52 2.8836 68 2.7429 69 2.9902 80 2.7981 84 2.6974 107 68 O 3.264 10 2.5266 70 2.3485 71 2.6524 73 3.1745 75 2.5632 80 3.1909 83 2.6165 84 2.9609 106 2.8838 67 3.2609 95 69 O 3.264 9 2.7085 52 2.5791 66 2.4152 72 2.6497 79 2.7059 80 3.1827 104 2.7431 67 3.1737 91 3.2091 96 70 O 3.264 9 2.6374 54 2.5266 68 2.4164 71 2.5703 73 3.2053 77 2.6443 81 3.1504 111 2.5495 64 3.2568 94 71 O 3.264 9 2.7862 62 2.3485 68 2.4164 70 2.6694 73 2.6046 82 3.1906 100 3.2417 105 2.792 65 3.214 95 72 O 3.264 9 2.7181 53 2.6161 54 3.2457 61 2.6101 66 2.4152 69 3.0097 77 3.0813 78 2.6055 79 2.5232 81 73 O 3.264 9 2.5631 48 2.6524 68 2.5703 70 2.6694 71 3.2485 75 3.1829 77 2.6004 101 3.1392 111 2.6134 117 74 O 3.264 8 2.6219 51 2.6537 58 3.2485 76 2.6611 85 2.6786 86 2.5243 87 2.6367 116 2.6537 121 75 O 3.264 9 2.6487 46 3.0351 48 3.1375 50 3.1745 68 3.2485 73 2.7654 76 2.8483 80 2.7497 107 2.6459 111 76 O 3.264 11 2.7662 46 3.1301 49 3.1874 58 3.1264 66 3.2485 74 2.7654 75 2.6547 82 3.0113 85 2.7288 107 2.6981 111 3.1874 121 77 O 3.264 10 2.7012 61 3.2053 70 3.0097 72 3.1829 73 2.724 81 2.6455 100 3.0963 102 2.7597 103 2.7049 104 3.1145 117 78 O 3.264 8 2.5575 47 3.0813 72 2.6478 81 2.7698 83 3.0508 86 3.2209 102 2.6849 105 2.6387 106 79 O 3.264 6 2.5461 49 2.7253 50 2.7076 66 2.6497 69 2.6055 72 2.5337 102 80 O 3.264 10 2.8679 52 2.5632 68 2.7059 69 2.8483 75 2.8319 84 2.9718 86 3.2357 87 2.6839 104 2.6249 106 2.9905 67 81 O 3.264 9 2.8376 53 2.8989 54 2.6443 70 2.5232 72 2.724 77 2.6478 78 3.2526 85 2.6301 111 2.7926 64 82 O 3.264 9 2.9706 60 2.9814 62 2.5241 66 2.6046 71 2.6547 76 3.2576 87 2.6567 100 2.6889 105 2.9079 65 83 O 3.264 8 2.686 53 2.7956 62 3.1909 68 2.7698 78 2.691 84 2.383 86 2.8114 105 2.6465 106 84 O 3.264 8 2.8758 52 2.6165 68 2.8319 80 2.691 83 2.7993 86 2.7981 67 2.6605 90 2.5851 95 85 O 3.264 10 2.8701 60 2.6611 74 3.0113 76 3.2526 81 2.6694 86 2.6714 87 2.4525 107 3.0677 111 2.6981 64 2.8986 92 86 O 3.264 10 3.0162 53 2.6786 74 3.0508 78 2.9718 80 2.383 83 2.7993 84 2.6694 85 2.6233 87 2.7092 106 3.1262 90 87 O 3.264 11 2.9607 52 2.3799 61 2.5243 74 3.2357 80 3.2576 82 2.6714 85 2.6233 86 2.7706 100 2.8018 104 2.8598 65 3.2099 93 88 O 3.264 12 2.6394 47 3.2324 49 2.9974 55 2.8256 63 3.0957 64 2.7322 92 2.8363 94 3.1617 102 2.5996 112 2.5245 113 3.2195 115 2.9974 118 89 O 3.264 13 2.8747 51 3.1374 57 2.7223 58 3.2179 59 2.8 90 2.5798 95 2.7922 98 3.2236 108 2.6161 112 2.7946 116 3.1374 120 2.7223 121 3.2179 122 90 O 3.264 10 2.8015 55 2.8 89 2.8449 92 2.7552 93 2.7211 109 2.8365 112 2.8015 118 2.4964 53 2.6604 84 3.1259 86 91 O 3.264 11 2.6792 56 2.7383 57 2.6003 63 2.5414 67 2.7249 96 2.7265 98 3.0592 114 2.6792 119 2.7383 120 2.5767 60 3.1734 69 92 O 3.264 10 2.8318 55 2.823 63 2.5058 64 2.7322 88 2.8449 90 2.7665 93 2.7157 110 2.8318 118 2.5932 60 2.8983 85 93 O 3.264 10 2.9449 55 2.6457 65 2.7552 90 2.7665 92 2.5377 97 2.5854 109 2.6469 110 2.9449 118 2.6284 52 3.2096 87 94 O 3.264 10 2.6006 59 2.7406 63 2.5674 64 2.6673 67 2.8363 88 2.716 95 2.8251 99 2.8542 115 2.6006 122 3.2565 70 95 O 3.264 11 2.6491 59 2.5798 89 2.716 94 2.7653 99 2.7454 108 3.0386 115 2.6491 122 2.5888 62 3.2606 68 3.2137 71 2.585 84 96 O 3.264 10 2.7733 56 2.7249 91 2.9042 97 2.7753 98 2.8421 113 2.8217 114 2.7733 119 2.5657 52 2.5704 54 3.2088 69 97 O 3.264 10 2.8646 48 2.5377 93 2.9042 96 2.837 99 2.8489 101 3.1658 108 3.0654 109 3.1358 110 2.7276 113 2.5891 117 98 O 3.264 9 2.6121 57 2.7922 89 2.7265 91 2.7753 96 2.657 112 2.7919 114 2.6121 120 2.563 53 2.648 62 99 O 3.264 8 2.6089 65 2.8251 94 2.7653 95 2.837 97 2.7015 108 2.7433 113 2.8439 115 2.5443 54 100 O 3.264 10 3.1577 58 2.7172 61 3.1906 71 2.6455 77 2.6567 82 2.7706 87 3.0311 101 2.6266 103 2.6252 104 3.1577 121 101 O 3.264 10 2.735 48 2.6004 73 2.8489 97 3.0311 100 3.0984 103 3.218 105 3.0437 108 3.0786 113 2.6677 115 2.6375 117 102 O 3.264 10 2.685 49 2.7261 50 2.6847 55 2.9243 63 3.0963 77 3.2209 78 2.5337 79 3.1617 88 3.0502 110 2.6847 118 103 O 3.264 11 2.7137 57 3.242 58 2.7597 77 2.6266 100 3.0984 101 2.6926 104 2.6046 108 2.6259 110 3.2319 116 2.7137 120 3.242 121 104 O 3.264 9 3.1287 50 2.7649 61 3.1827 69 2.7049 77 2.6839 80 2.8018 87 2.6252 100 2.6926 103 3.2177 116 105 O 3.264 9 2.5819 47 3.234 49 3.1043 66 3.2417 71 2.6849 78 2.6889 82 2.8114 83 3.218 101 2.6891 106 106 O 3.264 7 2.6988 47 2.9609 68 2.6387 78 2.6249 80 2.6465 83 2.7092 86 2.6891 105 107 O 3.264 7 2.649 60 2.7497 75 2.7288 76 2.4525 85 2.8021 111 2.6281 64 2.6976 67 108 O 3.264 13 2.602 57 3.1663 58 3.2461 65 3.2236 89 2.7454 95 3.1658 97 2.7015 99 3.0437 101 2.6046 103 2.6015 110 2.6512 115 2.602 120 3.1663 121 109 O 3.264 12 2.7039 46 3.0409 51 2.585 55 2.7049 56 2.7691 59 2.7211 90 2.5854 93 3.0654 97 3.0461 117 2.585 118 2.7049 119 2.7691 122 110 O 3.264 11 2.5638 55 2.7074 57 2.7157 92 2.6469 93 3.1358 97 3.0502 102 2.6259 103 2.6015 108 3.1086 117 2.5638 118 2.7074 120 111 O 3.264 10 2.6429 46 3.0854 51 3.1504 70 3.1392 73 2.6459 75 2.6981 76 2.6301 81 3.0677 85 2.8021 107 3.1074 117 112 O 3.264 12 2.7387 47 3.0853 51 3.2145 55 2.5996 88 2.6161 89 2.8365 90 2.657 98 2.6233 113 2.8826 114 2.8633 116 3.2145 118 3.1314 53 113 O 3.264 11 2.6085 47 3.0808 48 2.5245 88 2.8421 96 2.7276 97 2.7433 99 3.0786 101 2.6233 112 3.0517 114 3.0364 115 3.2363 54 114 O 3.264 12 2.6744 48 2.8879 50 2.5927 56 2.6675 57 3.0592 91 2.8217 96 2.7919 98 2.8826 112 3.0517 113 2.6574 116 2.5927 119 2.6675 120 115 O 3.264 12 2.6627 49 2.8449 58 2.6392 59 3.2195 88 2.8542 94 3.0386 95 2.8439 99 2.6677 101 2.6512 108 3.0364 113 2.8449 121 2.6392 122 116 O 3.264 11 2.6862 51 2.9927 57 2.6564 58 2.6367 74 2.7946 89 3.2319 103 3.2177 104 2.8633 112 2.6574 114 2.9927 120 2.6564 121 117 O 3.264 10 2.6566 48 2.9181 55 2.6134 73 3.1145 77 2.5891 97 2.6375 101 3.0461 109 3.1086 110 3.1074 111 2.9181 118 118 O 3.264 10 2.7213 51 2.9974 88 2.8015 90 2.8318 92 2.9449 93 2.6847 102 2.585 109 2.5638 110 3.2145 112 2.9181 117 119 O 3.264 10 2.5937 46 3.0646 48 3.0402 50 2.6396 59 3.0713 63 2.6792 91 2.7733 96 2.7049 109 2.5927 114 2.6396 122 120 O 3.264 10 3.216 50 3.1374 89 2.7383 91 2.6121 98 2.7137 103 2.602 108 2.7074 110 2.6675 114 2.9927 116 3.1542 62 121 O 3.264 11 2.6961 51 3.2319 59 2.6537 74 3.1874 76 2.7223 89 3.1577 100 3.242 103 3.1663 108 2.8449 115 2.6564 116 3.2319 122 122 O 3.264 13 2.7334 46 3.07 49 2.6396 56 3.2319 58 3.1467 63 3.2469 67 3.2179 89 2.6006 94 2.6491 95 2.7691 109 2.6392 115 2.6396 119 3.2319 121 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 3 4.615 9.231 0.045 305.89 2 364.5 552.4 2 1 0 0 5.142 10.283 0.05 246.05 6 14.7 2.2 3 1 0 -1 5.368 10.735 0.052 225.58 6 29.2 7.8 4 1 0 1 5.368 10.735 0.052 225.58 6 11.7 1.3 5 1 0 -2 5.995 11.991 0.058 180.36 6 13.7 1.4 6 1 0 2 5.995 11.991 0.058 180.36 6 27.4 5.5 7 1 0 -3 6.918 13.835 0.067 134.91 6 21.6 2.6 8 1 0 3 6.918 13.835 0.067 134.91 6 36.6 7.4 9 1 0 -4 8.036 16.072 0.078 99.39 6 34.9 4.9 10 1 0 4 8.036 16.072 0.078 99.39 6 22.0 2.0 11 1 1 0 8.93 17.859 0.087 80.08 6 7.7 0.2 12 1 1 -1 9.063 18.126 0.088 77.67 6 21.4 1.5 13 1 1 1 9.063 18.126 0.088 77.67 6 334.8 354.9 14 0 0 6 9.261 18.523 0.09 74.29 2 128.0 16.5 15 1 0 -5 9.282 18.565 0.09 73.94 6 30.5 2.8 16 1 0 5 9.282 18.565 0.09 73.94 6 4.9 0.1 17 1 1 -2 9.452 18.905 0.092 71.23 6 545.8 865.2 18 1 1 2 9.452 18.905 0.092 71.23 6 31.1 2.8 19 1 1 -3 10.069 20.139 0.098 62.51 6 12.4 0.4 20 1 1 3 10.069 20.139 0.098 62.51 6 23.9 1.5 21 2 0 0 10.325 20.65 0.1 59.35 6 26.3 1.7 22 2 0 -1 10.441 20.883 0.101 57.99 6 48.8 5.6 23 2 0 1 10.441 20.883 0.101 57.99 6 14.2 0.5 24 1 0 -6 10.615 21.23 0.103 56.04 6 31.9 2.3 25 1 0 6 10.615 21.23 0.103 56.04 6 30.1 2.1 26 2 0 -2 10.783 21.566 0.105 54.24 6 15.4 0.5 27 2 0 2 10.783 21.566 0.105 54.24 6 57.0 7.2 28 1 1 -4 10.876 21.753 0.105 53.27 6 18.9 0.8 29 1 1 4 10.876 21.753 0.105 53.27 6 71.6 11.1 30 2 0 -3 11.331 22.661 0.11 48.92 6 53.9 5.8 31 2 0 3 11.331 22.661 0.11 48.92 6 10.3 0.2 32 1 1 -5 11.837 23.675 0.115 44.65 6 287.0 149.9 33 1 1 5 11.837 23.675 0.115 44.65 6 29.5 1.6 34 1 0 -7 12.008 24.016 0.116 43.33 6 6.1 0.1 35 1 0 7 12.008 24.016 0.116 43.33 6 17.8 0.6 36 2 0 -4 12.057 24.115 0.117 42.96 6 46.2 3.7 37 2 0 4 12.057 24.115 0.117 42.96 6 4.0 0.0 38 1 1 -6 12.92 25.84 0.125 37.15 6 20.1 0.6 39 1 1 6 12.92 25.84 0.125 37.15 6 38.3 2.2 40 2 0 -5 12.936 25.871 0.125 37.05 6 12.5 0.2 41 2 0 5 12.936 25.871 0.125 37.05 6 43.4 2.8 42 1 0 -8 13.447 26.894 0.13 34.14 6 12.4 0.2 43 1 0 8 13.447 26.894 0.13 34.14 6 18.1 0.5 44 1 2 0 13.716 27.431 0.133 32.73 6 33.3 1.5 45 2 1 0 13.716 27.431 0.133 32.73 6 38.4 2.0 46 1 2 -1 13.805 27.61 0.133 32.29 6 34.5 1.6 47 1 2 1 13.805 27.61 0.133 32.29 6 27.8 1.0 48 2 1 -1 13.805 27.61 0.133 32.29 6 69.9 6.4 49 2 1 1 13.805 27.61 0.133 32.29 6 0.9 0.0 50 2 0 -6 13.939 27.877 0.135 31.63 6 35.2 1.6 51 2 0 6 13.939 27.877 0.135 31.63 6 10.2 0.1 52 0 0 9 13.969 27.939 0.135 31.48 2 124.3 6.6 53 1 2 -2 14.069 28.139 0.136 31.01 6 59.1 4.4 54 1 2 2 14.069 28.139 0.136 31.01 6 60.5 4.6 55 2 1 -2 14.069 28.139 0.136 31.01 6 62.4 4.9 56 2 1 2 14.069 28.139 0.136 31.01 6 45.3 2.6 57 1 1 -7 14.1 28.2 0.136 30.87 6 52.9 3.5 58 1 1 7 14.1 28.2 0.136 30.87 6 277.0 96.6 59 1 2 -3 14.5 29.001 0.14 29.08 6 91.7 10.0 60 1 2 3 14.5 29.001 0.14 29.08 6 62.1 4.6 61 2 1 -3 14.5 29.001 0.14 29.08 6 72.1 6.2 62 2 1 3 14.5 29.001 0.14 29.08 6 77.0 7.0 63 1 0 -9 14.922 29.844 0.144 27.35 6 63.5 4.5 64 1 0 9 14.922 29.844 0.144 27.35 6 12.8 0.2 65 2 0 -7 15.045 30.09 0.145 26.87 6 24.5 0.7 66 2 0 7 15.045 30.09 0.145 26.87 6 11.4 0.1 67 1 2 -4 15.085 30.17 0.145 26.72 6 55.4 3.3 68 1 2 4 15.085 30.17 0.145 26.72 6 42.3 2.0 69 2 1 -4 15.085 30.17 0.145 26.72 6 83.3 7.6 70 2 1 4 15.085 30.17 0.145 26.72 6 37.9 1.6 71 1 1 -8 15.357 30.715 0.148 25.71 6 432.6 196.2 72 1 1 8 15.357 30.715 0.148 25.71 6 38.0 1.5 73 3 0 0 15.596 31.192 0.15 24.87 6 559.9 318.0 74 3 0 -1 15.675 31.351 0.151 24.6 6 21.5 0.5 75 3 0 1 15.675 31.351 0.151 24.6 6 14.4 0.2 76 1 2 -5 15.807 31.615 0.152 24.16 6 115.7 13.2 77 1 2 5 15.807 31.615 0.152 24.16 6 109.9 11.9 78 2 1 -5 15.807 31.615 0.152 24.16 6 131.4 17.0 79 2 1 5 15.807 31.615 0.152 24.16 6 137.0 18.5 80 3 0 -2 15.911 31.823 0.153 23.82 6 22.7 0.5 81 3 0 2 15.911 31.823 0.153 23.82 6 42.2 1.7 82 2 0 -8 16.236 32.471 0.156 22.81 6 26.0 0.6 83 2 0 8 16.236 32.471 0.156 22.81 6 52.0 2.5 84 3 0 -3 16.298 32.596 0.157 22.62 6 773.2 551.4 85 3 0 3 16.298 32.596 0.157 22.62 6 776.5 556.1 86 1 0 -10 16.428 32.855 0.158 22.23 6 69.0 4.3 87 1 0 10 16.428 32.855 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1 -3 24.739 49.478 0.234 8.94 6 48.4 0.9 279 4 1 3 24.739 49.478 0.234 8.94 6 21.4 0.2 280 3 0 -12 24.796 49.591 0.234 8.89 6 334.6 40.6 281 3 0 12 24.796 49.591 0.234 8.89 6 337.0 41.2 282 1 3 -10 24.831 49.662 0.235 8.87 6 66.2 1.6 283 1 3 10 24.831 49.662 0.235 8.87 6 54.5 1.1 284 3 1 -10 24.831 49.662 0.235 8.87 6 59.0 1.3 285 3 1 10 24.831 49.662 0.235 8.87 6 45.6 0.8 286 1 2 -13 24.94 49.88 0.236 8.78 6 44.7 0.7 287 1 2 13 24.94 49.88 0.236 8.78 6 32.4 0.4 288 2 1 -13 24.94 49.88 0.236 8.78 6 34.7 0.4 289 2 1 13 24.94 49.88 0.236 8.78 6 20.9 0.2 290 2 3 -6 24.992 49.983 0.236 8.74 6 37.8 0.5 291 2 3 6 24.992 49.983 0.236 8.74 6 101.3 3.7 292 3 2 -6 24.992 49.983 0.236 8.74 6 43.2 0.7 293 3 2 6 24.992 49.983 0.236 8.74 6 71.2 1.8 294 1 4 -4 25.116 50.233 0.237 8.64 6 10.4 0.0 295 1 4 4 25.116 50.233 0.237 8.64 6 182.4 11.7 296 4 1 -4 25.116 50.233 0.237 8.64 6 13.3 0.1 297 4 1 4 25.116 50.233 0.237 8.64 6 184.9 12.0 298 2 2 -11 25.359 50.718 0.239 8.45 6 25.1 0.2 299 2 2 11 25.359 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85.239 0.379 2.98 6 228.0 6.3 1170 3 4 -15 42.65 85.3 0.379 2.98 6 27.3 0.1 1171 3 4 15 42.65 85.3 0.379 2.98 6 128.4 2.0 1172 4 3 -15 42.65 85.3 0.379 2.98 6 42.4 0.2 1173 4 3 15 42.65 85.3 0.379 2.98 6 135.7 2.2 1174 5 0 -19 42.735 85.47 0.379 2.97 6 31.0 0.1 1175 5 0 19 42.735 85.47 0.379 2.97 6 45.6 0.3 1176 1 7 -2 42.743 85.487 0.379 2.97 6 185.8 4.2 1177 1 7 2 42.743 85.487 0.379 2.97 6 40.8 0.2 1178 7 1 -2 42.743 85.487 0.379 2.97 6 181.8 4.0 1179 7 1 2 42.743 85.487 0.379 2.97 6 46.6 0.3 1180 2 6 -8 42.916 85.833 0.381 2.96 6 77.4 0.7 1181 2 6 8 42.916 85.833 0.381 2.96 6 29.9 0.1 1182 6 2 -8 42.916 85.833 0.381 2.96 6 63.3 0.5 1183 6 2 8 42.916 85.833 0.381 2.96 6 5.2 0.0 1184 1 7 -3 42.95 85.9 0.381 2.96 6 29.1 0.1 1185 1 7 3 42.95 85.9 0.381 2.96 6 24.0 0.1 1186 7 1 -3 42.95 85.9 0.381 2.96 6 15.3 0.0 1187 7 1 3 42.95 85.9 0.381 2.96 6 30.9 0.1 1188 3 5 -10 43.02 86.04 0.381 2.95 6 28.0 0.1 1189 3 5 10 43.02 86.04 0.381 2.95 6 49.8 0.3 1190 5 3 -10 43.02 86.04 0.381 2.95 6 29.8 0.1 1191 5 3 10 43.02 86.04 0.381 2.95 6 70.6 0.6 1192 7 0 -10 43.02 86.04 0.381 2.95 6 136.1 2.2 1193 7 0 10 43.02 86.04 0.381 2.95 6 136.6 2.2 1194 1 6 -13 43.104 86.208 0.382 2.95 6 119.7 1.7 1195 1 6 13 43.104 86.208 0.382 2.95 6 183.2 4.0 1196 6 1 -13 43.104 86.208 0.382 2.95 6 113.6 1.6 1197 6 1 13 43.104 86.208 0.382 2.95 6 178.1 3.8 1198 1 7 -4 43.239 86.478 0.383 2.94 6 9.7 0.0 1199 1 7 4 43.239 86.478 0.383 2.94 6 31.0 0.1 1200 7 1 -4 43.239 86.478 0.383 2.94 6 21.2 0.1 1201 7 1 4 43.239 86.478 0.383 2.94 6 17.7 0.0 1202 2 3 -21 43.273 86.546 0.383 2.93 6 54.3 0.4 1203 2 3 21 43.273 86.546 0.383 2.93 6 41.1 0.2 1204 3 2 -21 43.273 86.546 0.383 2.93 6 46.3 0.3 1205 3 2 21 43.273 86.546 0.383 2.93 6 12.0 0.0 1206 1 2 -24 43.316 86.632 0.383 2.93 6 37.2 0.2 1207 1 2 24 43.316 86.632 0.383 2.93 6 16.7 0.0 1208 2 1 -24 43.316 86.632 0.383 2.93 6 25.5 0.1 1209 2 1 24 43.316 86.632 0.383 2.93 6 9.7 0.0 1210 4 4 -11 43.427 86.853 0.384 2.92 6 235.5 6.6 1211 4 4 11 43.427 86.853 0.384 2.92 6 12.0 0.0 1212 6 0 -16 43.47 86.939 0.385 2.92 6 76.7 0.7 1213 6 0 16 43.47 86.939 0.385 2.92 6 64.7 0.5 1214 1 1 -25 43.496 86.991 0.385 2.92 6 32.4 0.1 1215 1 1 25 43.496 86.991 0.385 2.92 6 224.1 6.0 1216 2 5 -15 43.572 87.145 0.385 2.91 6 10.7 0.0 1217 2 5 15 43.572 87.145 0.385 2.91 6 23.8 0.1 1218 5 2 -15 43.572 87.145 0.385 2.91 6 31.6 0.1 1219 5 2 15 43.572 87.145 0.385 2.91 6 55.5 0.4 1220 1 7 -5 43.611 87.222 0.386 2.91 6 272.9 8.8 1221 1 7 5 43.611 87.222 0.386 2.91 6 12.6 0.0 1222 7 1 -5 43.611 87.222 0.386 2.91 6 268.7 8.6 1223 7 1 5 43.611 87.222 0.386 2.91 6 12.6 0.0 1224 2 6 -9 43.618 87.237 0.386 2.91 6 57.9 0.4 1225 2 6 9 43.618 87.237 0.386 2.91 6 15.4 0.0 1226 6 2 -9 43.618 87.237 0.386 2.91 6 20.0 0.0 1227 6 2 9 43.618 87.237 0.386 2.91 6 14.5 0.0 1228 3 3 -19 43.657 87.314 0.386 2.91 6 41.1 0.2 1229 3 3 19 43.657 87.314 0.386 2.91 6 5.9 0.0 1230 4 0 -22 43.666 87.331 0.386 2.91 6 36.7 0.2 1231 4 0 22 43.666 87.331 0.386 2.91 6 31.5 0.1 1232 2 2 -23 43.68 87.36 0.386 2.91 6 1.4 0.0 1233 2 2 23 43.68 87.36 0.386 2.91 6 197.4 4.6 1234 3 5 -11 43.887 87.774 0.388 2.89 6 31.8 0.1 1235 3 5 11 43.887 87.774 0.388 2.89 6 29.3 0.1 1236 5 3 -11 43.887 87.774 0.388 2.89 6 44.3 0.2 1237 5 3 11 43.887 87.774 0.388 2.89 6 40.3 0.2 1238 7 0 -11 43.887 87.774 0.388 2.89 6 64.5 0.5 1239 7 0 11 43.887 87.774 0.388 2.89 6 67.7 0.5 1240 3 4 -16 43.93 87.861 0.388 2.89 6 56.4 0.4 1241 3 4 16 43.93 87.861 0.388 2.89 6 35.8 0.2 1242 4 3 -16 43.93 87.861 0.388 2.89 6 40.6 0.2 1243 4 3 16 43.93 87.861 0.388 2.89 6 22.9 0.1 1244 2 0 -25 43.956 87.913 0.388 2.89 6 17.6 0.0 1245 2 0 25 43.956 87.913 0.388 2.89 6 28.3 0.1 1246 1 5 -18 43.973 87.945 0.388 2.89 6 42.8 0.2 1247 1 5 18 43.973 87.945 0.388 2.89 6 23.3 0.1 1248 5 1 -18 43.973 87.945 0.388 2.89 6 25.7 0.1 1249 5 1 18 43.973 87.945 0.388 2.89 6 35.9 0.2 1250 1 7 -6 44.065 88.129 0.389 2.88 6 14.8 0.0 1251 1 7 6 44.065 88.129 0.389 2.88 6 16.4 0.0 1252 7 1 -6 44.065 88.129 0.389 2.88 6 3.9 0.0 1253 7 1 6 44.065 88.129 0.389 2.88 6 13.4 0.0 1254 2 4 -19 44.117 88.235 0.389 2.88 6 9.3 0.0 1255 2 4 19 44.117 88.235 0.389 2.88 6 35.8 0.2 1256 4 2 -19 44.117 88.235 0.389 2.88 6 32.2 0.1 1257 4 2 19 44.117 88.235 0.389 2.88 6 25.8 0.1 1258 1 3 -23 44.14 88.281 0.389 2.88 6 68.5 0.5 1259 1 3 23 44.14 88.281 0.389 2.88 6 62.7 0.5 1260 3 1 -23 44.14 88.281 0.389 2.88 6 46.8 0.3 1261 3 1 23 44.14 88.281 0.389 2.88 6 88.1 0.9 1262 1 4 -21 44.194 88.388 0.39 2.87 6 23.0 0.1 1263 1 4 21 44.194 88.388 0.39 2.87 6 17.4 0.0 1264 4 1 -21 44.194 88.388 0.39 2.87 6 11.0 0.0 1265 4 1 21 44.194 88.388 0.39 2.87 6 36.9 0.2 1266 1 6 -14 44.218 88.436 0.39 2.87 6 58.0 0.4 1267 1 6 14 44.218 88.436 0.39 2.87 6 130.9 2.0 1268 6 1 -14 44.218 88.436 0.39 2.87 6 81.7 0.8 1269 6 1 14 44.218 88.436 0.39 2.87 6 136.4 2.2 1270 3 0 -24 44.237 88.475 0.39 2.87 6 171.6 3.4 1271 3 0 24 44.237 88.475 0.39 2.87 6 170.9 3.4 1272 5 0 -20 44.345 88.689 0.391 2.86 6 20.6 0.0 1273 5 0 20 44.345 88.689 0.391 2.86 6 47.2 0.3 1274 4 4 -12 44.375 88.751 0.391 2.86 6 18.5 0.0 1275 4 4 12 44.375 88.751 0.391 2.86 6 25.2 0.1 1276 2 6 -10 44.402 88.804 0.391 2.86 6 96.5 1.1 1277 2 6 10 44.402 88.804 0.391 2.86 6 61.9 0.4 1278 6 2 -10 44.402 88.804 0.391 2.86 6 101.8 1.2 1279 6 2 10 44.402 88.804 0.391 2.86 6 49.1 0.3 1280 4 5 0 44.421 88.843 0.391 2.86 6 62.7 0.5 1281 5 4 0 44.421 88.843 0.391 2.86 6 74.0 0.6 1282 4 5 -1 44.463 88.925 0.392 2.86 6 85.9 0.9 1283 4 5 1 44.463 88.925 0.392 2.86 6 86.0 0.9 1284 5 4 -1 44.463 88.925 0.392 2.86 6 65.8 0.5 1285 5 4 1 44.463 88.925 0.392 2.86 6 84.2 0.8 1286 4 5 -2 44.586 89.173 0.392 2.85 6 74.1 0.6 1287 4 5 2 44.586 89.173 0.392 2.85 6 81.9 0.8 1288 5 4 -2 44.586 89.173 0.392 2.85 6 74.1 0.6 1289 5 4 2 44.586 89.173 0.392 2.85 6 75.8 0.7 1290 1 7 -7 44.601 89.201 0.393 2.85 6 66.6 0.5 1291 1 7 7 44.601 89.201 0.393 2.85 6 220.4 5.6 1292 7 1 -7 44.601 89.201 0.393 2.85 6 51.3 0.3 1293 7 1 7 44.601 89.201 0.393 2.85 6 220.1 5.6 1294 1 0 -26 44.678 89.357 0.393 2.84 6 11.9 0.0 1295 1 0 26 44.678 89.357 0.393 2.84 6 15.4 0.0 1296 4 5 -3 44.792 89.585 0.394 2.84 6 47.7 0.3 1297 4 5 3 44.792 89.585 0.394 2.84 6 72.8 0.6 1298 5 4 -3 44.792 89.585 0.394 2.84 6 33.9 0.1 1299 5 4 3 44.792 89.585 0.394 2.84 6 59.6 0.4 1300 6 0 -17 44.831 89.662 0.394 2.84 6 8.0 0.0 1301 6 0 17 44.831 89.662 0.394 2.84 6 12.0 0.0 1302 3 5 -12 44.836 89.671 0.394 2.84 6 38.9 0.2 1303 3 5 12 44.836 89.671 0.394 2.84 6 78.4 0.7 1304 5 3 -12 44.836 89.671 0.394 2.84 6 19.8 0.0 1305 5 3 12 44.836 89.671 0.394 2.84 6 68.5 0.5 1306 7 0 -12 44.836 89.671 0.394 2.84 6 142.0 2.3 1307 7 0 12 44.836 89.671 0.394 2.84 6 134.3 2.1 1308 2 5 -16 44.851 89.702 0.394 2.84 6 287.8 9.6 1309 2 5 16 44.851 89.702 0.394 2.84 6 33.2 0.1 1310 5 2 -16 44.851 89.702 0.394 2.84 6 279.2 9.0 1311 5 2 16 44.851 89.702 0.394 2.84 6 34.2 0.1 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 3 4.615 9.231 11.11567 552.4 18.2 18.6 5.6 2 1 1 1 9.063 18.126 5.67834 356.4 11.8 12.0 5.6 3 1 1 2 9.452 18.905 5.4464 868.0 28.7 29.1 5.6 4 1 1 5 11.837 23.675 4.36036 151.5 5.0 5.1 5.6 5 1 1 7 14.1 28.2 3.67165 100.1 3.3 3.3 5.6 6 1 1 8 15.357 30.715 3.37739 197.7 6.5 6.6 5.6 7 3 0 0 15.596 31.192 3.32698 318.0 10.5 10.6 5.6 8 2 1 5 15.807 31.615 3.28356 60.6 2.0 2.0 5.6 9 3 0 3 16.298 32.596 3.18728 1107.4 36.6 36.8 5.6 10 1 2 7 17.604 35.209 2.95745 39.0 1.3 1.3 5.7 11 2 2 1 18.156 36.311 2.87056 200.1 6.6 6.6 5.7 12 3 0 6 18.261 36.521 2.85461 413.0 13.6 13.7 5.7 13 2 2 2 18.363 36.727 2.83917 95.6 3.2 3.2 5.7 14 0 0 12 18.776 37.553 2.77892 1254.4 41.4 41.5 5.7 15 2 2 4 19.175 38.351 2.7232 3027.2 100.0 100.0 5.7 16 1 1 11 19.475 38.949 2.68293 268.9 8.9 8.9 5.7 17 2 2 5 19.766 39.531 2.64498 52.6 1.7 1.7 5.7 18 3 0 9 21.182 42.363 2.47549 162.3 5.4 5.3 5.7 19 2 2 7 21.273 42.545 2.4654 63.5 2.1 2.1 5.7 20 2 2 8 22.172 44.344 2.37015 885.2 29.2 29.1 5.7 21 1 1 13 22.438 44.876 2.34346 73.6 2.4 2.4 5.7 22 3 2 1 23.051 46.102 2.28441 52.9 1.7 1.7 5.7 23 3 2 3 23.505 47.01 2.2427 57.0 1.9 1.9 5.7 24 0 0 15 23.725 47.449 2.22313 247.9 8.2 8.1 5.7 25 1 1 14 23.975 47.95 2.20129 332.1 11.0 10.9 5.7 26 4 1 1 24.302 48.605 2.17339 69.8 2.3 2.3 5.7 27 2 3 5 24.394 48.788 2.1657 36.7 1.2 1.2 5.7 28 1 4 2 24.467 48.933 2.15967 555.2 18.3 18.1 5.7 29 3 0 12 24.796 49.591 2.13279 81.8 2.7 2.7 5.7 30 4 1 7 26.844 53.688 1.98081 79.1 2.6 2.6 5.8 31 3 3 3 28.201 56.402 1.89278 225.8 7.5 7.3 5.8 32 3 0 15 28.94 57.881 1.84844 160.7 5.3 5.2 5.8 33 2 2 14 29.158 58.317 1.83582 30.8 1.0 1.0 5.8 34 4 1 10 29.374 58.748 1.82353 95.0 3.1 3.1 5.8 35 3 3 6 29.517 59.035 1.81547 191.1 6.3 6.2 5.8 36 5 1 1 29.979 59.958 1.79005 46.3 1.5 1.5 5.8 37 4 1 11 30.376 60.753 1.76884 169.0 5.6 5.4 5.8 38 3 3 9 31.636 63.271 1.7053 42.6 1.4 1.4 5.9 39 2 2 16 31.984 63.967 1.68869 905.6 29.9 29.0 5.9 40 1 1 19 32.191 64.383 1.67896 47.3 1.6 1.5 5.9 41 6 0 0 32.527 65.055 1.66349 1310.6 43.3 41.9 5.9 42 2 2 17 33.479 66.958 1.62148 37.9 1.3 1.2 5.9 43 3 0 18 33.547 67.094 1.61859 50.6 1.7 1.6 5.9 44 1 4 14 33.813 67.625 1.60736 113.8 3.8 3.6 5.9 45 5 2 2 34.21 68.419 1.59094 36.7 1.2 1.2 5.9 46 3 3 12 34.477 68.954 1.5801 31.3 1.0 1.0 5.9 47 1 6 1 36.034 72.068 1.5205 35.4 1.2 1.1 5.9 48 5 2 7 36.179 72.358 1.51523 46.3 1.5 1.5 5.9 49 2 2 19 36.637 73.274 1.49891 130.1 4.3 4.1 6.0 50 3 3 15 37.981 75.962 1.45345 107.0 3.5 3.4 6.0 51 2 2 20 38.302 76.604 1.44313 439.1 14.5 13.7 6.0 52 6 0 12 38.805 77.611 1.42731 762.2 25.2 23.8 6.0 53 4 4 4 39.056 78.113 1.41959 347.6 11.5 10.8 6.0 54 5 2 11 39.247 78.495 1.41379 86.1 2.8 2.7 6.0 55 1 1 23 39.505 79.011 1.40605 59.2 2.0 1.8 6.0 56 0 0 24 40.072 80.144 1.38946 51.8 1.7 1.6 6.0 57 1 4 19 40.882 81.765 1.36661 73.0 2.4 2.3 6.1 58 4 4 8 41.065 82.131 1.3616 214.0 7.1 6.6 6.1 59 3 3 18 42.127 84.255 1.33346 42.6 1.4 1.3 6.1 60 6 0 15 42.188 84.376 1.3319 123.6 4.1 3.8 6.1 61 2 5 14 42.374 84.748 1.32716 86.1 2.8 2.6 6.1 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |