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 *** *********************** PALERMOITE 1, s-palermoite SrLi(2)[Al(4)(OH)(4)[PO(4)](4) Orthorhombic * Imcb Z = 4 R =0.09 NR =1471 5 .4 .1991 Ref.Str.: Moore P.B., Araki T. (1975) * Amer. Mineral., 60, 460-465 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 11.556 alpha = 90.0 b = 15.847 beta = 90.0 c = 7.315 gamma = 90.0 Unit cell volume (cub. angs.) = 1339.58 Molar volume ( cub.cm/mol.) = 201.72 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.5 0.5 0.8 Sr = 1.00 2 0.5 0.2851 0.2723 2.2 Li = 1.00 3 0.1307 0.3727 0.1374 0.56 Al = 1.00 4 0.25 0.2922 0.5 0.45 P = 1.00 5 0.1438 0.2632 0.0387 0.75 O = 1.00 6 0.2257 0.3515 0.3389 0.59 O = 1.00 7 0.0 0.4576 0.7731 0.5 P = 1.00 8 0.0 0.3993 0.6107 0.98 O = 1.00 9 0.0 0.4014 0.9502 0.76 O = 1.00 10 0.1083 0.4857 0.2275 0.69 O = 1.00 11 0.0 0.3363 0.2606 0.62 OH = 1.00 12 0.25 0.4117 0.0 0.87 OH = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.25 0.5 0.5 2 2 0.5 0.2851 0.2723 3 3 0.1307 0.3727 0.1374 4 4 0.25 0.2922 0.5 5 5 0.1438 0.2632 0.0387 6 6 0.2257 0.3515 0.3389 7 7 0.0 0.4576 0.7731 8 8 0.0 0.3993 0.6107 9 9 0.0 0.4014 0.9502 10 10 0.1083 0.4857 0.2275 11 11 0.0 0.3363 0.2606 12 12 0.25 0.4117 0.0 13 1 0.75 0.0 0.0 14 2 0.0 0.7851 0.7723 15 3 0.6307 0.8727 0.6374 16 4 0.75 0.7922 0.0 17 5 0.6438 0.7632 0.5387 18 6 0.7257 0.8515 0.8389 19 7 0.5 0.9576 0.2731 20 8 0.5 0.8993 0.1107 21 9 0.5 0.9014 0.4502 22 10 0.6083 0.9857 0.7275 23 11 0.5 0.8363 0.7606 24 12 0.75 0.9117 0.5 25 1 0.75 0.5 0.5 26 3 0.8693 0.3727 0.1374 27 4 0.75 0.2922 0.5 28 5 0.8562 0.2632 0.0387 29 6 0.7743 0.3515 0.3389 30 10 0.8917 0.4857 0.2275 31 12 0.75 0.4117 0.0 32 1 0.25 0.0 0.0 33 3 0.3693 0.8727 0.6374 34 4 0.25 0.7922 0.0 35 5 0.3562 0.7632 0.5387 36 6 0.2743 0.8515 0.8389 37 10 0.3917 0.9857 0.7275 38 12 0.25 0.9117 0.5 39 2 0.5 0.7851 0.2277 40 3 0.1307 0.8727 0.3626 41 5 0.1438 0.7632 0.4613 42 6 0.2257 0.8515 0.1611 43 7 0.0 0.9576 0.7269 44 8 0.0 0.8993 0.8893 45 9 0.0 0.9014 0.5498 46 10 0.1083 0.9857 0.2725 47 11 0.0 0.8363 0.2394 48 2 0.0 0.2851 0.7277 49 3 0.6307 0.3727 0.8626 50 5 0.6438 0.2632 0.9613 51 6 0.7257 0.3515 0.6611 52 7 0.5 0.4576 0.2269 53 8 0.5 0.3993 0.3893 54 9 0.5 0.4014 0.0498 55 10 0.6083 0.4857 0.7725 56 11 0.5 0.3363 0.7394 57 3 0.8693 0.8727 0.3626 58 5 0.8562 0.7632 0.4613 59 6 0.7743 0.8515 0.1611 60 10 0.8917 0.9857 0.2725 61 3 0.3693 0.3727 0.8626 62 5 0.3562 0.2632 0.9613 63 6 0.2743 0.3515 0.6611 64 10 0.3917 0.4857 0.7725 65 2 0.5 0.2149 0.7723 66 3 0.1307 0.1273 0.6374 67 4 0.25 0.2078 0.0 68 5 0.1438 0.2368 0.5387 69 6 0.2257 0.1485 0.8389 70 7 0.0 0.0424 0.2731 71 8 0.0 0.1007 0.1107 72 9 0.0 0.0986 0.4502 73 10 0.1083 0.0143 0.7275 74 11 0.0 0.1637 0.7606 75 12 0.25 0.0883 0.5 76 2 0.0 0.7149 0.2723 77 3 0.6307 0.6273 0.1374 78 4 0.75 0.7078 0.5 79 5 0.6438 0.7368 0.0387 80 6 0.7257 0.6485 0.3389 81 7 0.5 0.5424 0.7731 82 8 0.5 0.6007 0.6107 83 9 0.5 0.5986 0.9502 84 10 0.6083 0.5143 0.2275 85 11 0.5 0.6637 0.2606 86 12 0.75 0.5883 0.0 87 3 0.8693 0.1273 0.6374 88 4 0.75 0.2078 0.0 89 5 0.8562 0.2368 0.5387 90 6 0.7743 0.1485 0.8389 91 10 0.8917 0.0143 0.7275 92 12 0.75 0.0883 0.5 93 3 0.3693 0.6273 0.1374 94 4 0.25 0.7078 0.5 95 5 0.3562 0.7368 0.0387 96 6 0.2743 0.6485 0.3389 97 10 0.3917 0.5143 0.2275 98 12 0.25 0.5883 0.0 99 2 0.5 0.7149 0.7277 100 3 0.1307 0.6273 0.8626 101 5 0.1438 0.7368 0.9613 102 6 0.2257 0.6485 0.6611 103 7 0.0 0.5424 0.2269 104 8 0.0 0.6007 0.3893 105 9 0.0 0.5986 0.0498 106 10 0.1083 0.5143 0.7725 107 11 0.0 0.6637 0.7394 108 2 0.0 0.2149 0.2277 109 3 0.6307 0.1273 0.3626 110 5 0.6438 0.2368 0.4613 111 6 0.7257 0.1485 0.1611 112 7 0.5 0.0424 0.7269 113 8 0.5 0.1007 0.8893 114 9 0.5 0.0986 0.5498 115 10 0.6083 0.0143 0.2725 116 11 0.5 0.1637 0.2394 117 3 0.8693 0.6273 0.8626 118 5 0.8562 0.7368 0.9613 119 6 0.7743 0.6485 0.6611 120 10 0.8917 0.5143 0.7725 121 3 0.3693 0.1273 0.3626 122 5 0.3562 0.2368 0.4613 123 6 0.2743 0.1485 0.1611 124 10 0.3917 0.0143 0.2725 X-ray density (g/cm cub.) = 3.26 MU (1/cm) = 144.314 Mass attenuation coefficient (cm**2/g) = 44.292 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sr 3.12 8 2.6468 6 2.5896 10 2.6468 6 2.5896 10 2.6468 6 2.5896 10 2.6468 6 2.5896 10 2 Li 2.496 5 2.0019 8 2.4588 9 2.2932 5 1.9388 11 2.2932 5 3 Al 2.364 6 1.8855 5 1.8683 6 2.0888 9 1.9256 10 1.851 11 1.8146 12 4 P 2.28 4 1.5332 6 1.5332 6 1.5353 5 1.5353 5 5 O 3.312 9 2.7706 6 2.8243 9 2.5958 11 2.6691 12 2.5189 5 2.5171 6 3.1097 8 3.0637 11 2.5258 6 6 O 3.312 8 2.7706 5 2.6509 10 2.6812 11 2.6711 12 3.2798 8 2.4229 6 2.5171 5 2.5258 5 7 P 2.28 4 1.5049 8 1.5721 9 1.5407 10 1.5407 10 8 O 3.312 8 2.4837 9 2.7487 11 3.2798 6 3.2798 6 3.1097 5 3.1097 5 2.5076 10 2.5076 10 9 O 3.312 11 2.8243 5 2.4837 8 2.7323 10 2.494 11 2.9164 12 2.8243 5 2.7323 10 2.9164 12 3.2088 9 2.5411 10 2.5411 10 10 O 3.312 9 2.6509 6 2.7323 9 2.6889 11 2.6127 12 2.503 10 3.3062 10 2.8451 12 2.5076 8 2.5411 9 11 OH 3.36 10 2.5958 5 2.6812 6 2.7487 8 2.494 9 2.6889 10 2.5958 5 2.6812 6 2.6889 10 3.0637 5 3.0637 5 12 OH 3.36 11 2.6691 5 2.6711 6 2.9164 9 2.6127 10 2.9164 9 2.6691 5 2.6711 6 2.6127 10 2.8451 10 2.7986 12 2.8451 10 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 2 0 5.579 11.158 0.063 208.65 2 119.4 331.7 2 0 1 1 6.66 13.32 0.075 145.72 4 20.1 13.1 3 2 0 0 7.661 15.322 0.087 109.58 2 130.6 208.4 4 1 2 1 9.094 18.188 0.103 77.13 8 64.9 145.0 5 2 2 0 9.497 18.994 0.107 70.54 4 98.2 151.5 6 2 1 1 10.178 20.355 0.115 61.14 8 161.4 710.3 7 0 3 1 10.362 20.724 0.117 58.91 4 88.6 103.1 8 0 4 0 11.211 22.423 0.126 50.01 2 29.4 4.8 9 0 0 2 12.158 24.315 0.137 42.22 2 88.8 37.1 10 2 3 1 12.937 25.875 0.145 37.04 8 39.9 26.3 11 1 1 2 13.073 26.145 0.147 36.24 8 102.6 169.9 12 1 4 1 13.353 26.705 0.15 34.65 8 131.0 265.0 13 0 2 2 13.412 26.825 0.151 34.32 4 131.7 132.7 14 2 4 0 13.635 27.271 0.153 33.14 4 105.2 81.7 15 3 2 1 14.242 28.484 0.16 30.21 8 194.5 509.6 16 2 0 2 14.433 28.866 0.162 29.37 4 361.9 857.5 17 1 3 2 15.349 30.697 0.172 25.75 8 40.5 18.8 18 0 5 1 15.359 30.718 0.172 25.71 4 274.3 431.1 19 4 0 0 15.464 30.927 0.173 25.34 2 256.0 185.1 20 2 2 2 15.518 31.036 0.174 25.15 8 99.5 110.9 21 4 2 0 16.487 32.974 0.184 22.06 4 113.3 63.1 22 0 4 2 16.656 33.313 0.186 21.58 4 124.6 74.7 23 4 1 1 16.903 33.807 0.189 20.9 8 192.5 345.4 24 0 6 0 16.956 33.913 0.189 20.76 2 121.9 34.4 25 3 1 2 17.125 34.25 0.191 20.31 8 90.0 73.3 26 2 5 1 17.249 34.498 0.192 20.0 8 228.4 465.3 27 3 4 1 17.345 34.69 0.194 19.76 8 109.4 105.4 28 2 4 2 18.428 36.856 0.205 17.3 8 248.3 475.7 29 1 6 1 18.491 36.982 0.206 17.17 8 116.0 102.9 30 0 1 3 18.64 37.28 0.207 16.87 4 153.1 88.1 31 2 6 0 18.703 37.407 0.208 16.75 4 136.4 69.4 32 4 3 1 18.761 37.522 0.209 16.63 8 64.1 30.4 33 3 3 2 18.964 37.927 0.211 16.24 8 35.7 9.2 34 1 5 2 19.173 38.346 0.213 15.85 8 48.9 16.9 35 4 4 0 19.268 38.536 0.214 15.68 4 22.9 1.8 36 1 2 3 19.705 39.41 0.219 14.92 8 12.9 1.1 37 4 0 2 19.863 39.726 0.221 14.66 4 142.2 66.1 38 2 1 3 20.262 40.524 0.225 14.02 8 56.3 19.8 39 0 3 3 20.361 40.722 0.226 13.87 4 139.3 60.0 40 4 2 2 20.696 41.391 0.229 13.38 8 174.6 181.8 41 0 7 1 20.865 41.731 0.231 13.13 4 75.4 16.7 42 0 6 2 21.084 42.168 0.234 12.83 4 150.3 64.6 43 5 2 1 21.272 42.543 0.235 12.58 8 73.3 30.1 44 3 6 1 21.652 43.303 0.239 12.09 8 3.4 0.1 45 2 3 3 21.876 43.752 0.242 11.81 8 69.6 25.5 46 4 5 1 22.075 44.151 0.244 11.57 8 198.2 202.6 47 1 4 3 22.141 44.282 0.245 11.5 8 12.8 0.8 48 3 5 2 22.253 44.505 0.246 11.37 8 1.6 0.0 49 2 7 1 22.353 44.705 0.247 11.25 8 95.2 45.5 50 2 6 2 22.56 45.119 0.249 11.02 8 107.5 56.7 51 3 2 3 22.725 45.45 0.251 10.84 8 111.9 60.5 52 0 8 0 22.883 45.767 0.252 10.67 2 295.5 103.9 53 4 4 2 23.046 46.091 0.254 10.5 8 76.2 27.2 54 4 6 0 23.275 46.551 0.256 10.27 4 76.9 13.5 55 5 1 2 23.405 46.81 0.258 10.14 8 96.4 42.0 56 0 5 3 23.489 46.978 0.259 10.06 4 181.3 73.7 57 6 0 0 23.574 47.149 0.26 9.98 2 31.7 1.1 58 5 4 1 23.576 47.151 0.26 9.97 8 148.1 97.5 59 1 7 2 23.933 47.866 0.263 9.64 8 103.7 46.2 60 1 8 1 24.101 48.201 0.265 9.49 8 59.6 15.0 61 2 8 0 24.272 48.545 0.267 9.34 4 123.7 31.9 62 6 2 0 24.304 48.609 0.267 9.31 4 69.8 10.1 63 4 1 3 24.597 49.194 0.27 9.06 8 47.2 9.0 64 6 1 1 24.608 49.217 0.27 9.05 8 128.3 66.4 65 2 5 3 24.852 49.704 0.273 8.85 8 151.9 91.0 66 5 3 2 24.857 49.713 0.273 8.85 8 67.6 18.0 67 0 0 4 24.911 49.821 0.273 8.8 2 217.7 46.5 68 3 4 3 24.924 49.847 0.274 8.79 8 71.6 20.1 69 1 1 4 25.417 50.835 0.279 8.41 8 19.8 1.5 70 0 2 4 25.612 51.225 0.281 8.26 4 108.0 21.5 71 1 6 3 25.79 51.581 0.282 8.13 8 51.3 9.5 72 4 3 3 25.998 51.997 0.285 7.99 8 185.8 122.8 73 6 3 1 26.01 52.019 0.285 7.98 8 11.2 0.4 74 2 0 4 26.219 52.437 0.287 7.83 4 70.2 8.6 75 0 8 2 26.246 52.492 0.287 7.81 4 77.2 10.4 76 6 4 0 26.404 52.808 0.289 7.71 4 130.9 29.4 77 4 7 1 26.418 52.836 0.289 7.7 8 126.9 55.3 78 3 7 2 26.573 53.146 0.29 7.6 8 50.5 8.6 79 4 6 2 26.601 53.201 0.291 7.58 8 89.2 26.9 80 3 8 1 26.728 53.457 0.292 7.5 8 31.1 3.2 81 0 9 1 26.741 53.482 0.292 7.49 4 23.1 0.9 82 1 3 4 26.788 53.576 0.293 7.46 8 40.3 5.4 83 6 0 2 26.872 53.744 0.293 7.41 4 187.3 57.9 84 2 2 4 26.896 53.791 0.294 7.39 8 20.3 1.4 85 5 6 1 27.079 54.158 0.295 7.28 8 66.4 14.3 86 2 8 2 27.509 55.017 0.3 7.02 8 3.0 0.0 87 6 2 2 27.538 55.076 0.3 7.01 8 77.9 18.9 88 5 5 2 27.59 55.18 0.301 6.98 8 63.5 12.5 89 0 4 4 27.64 55.28 0.301 6.95 4 371.4 213.6 90 0 7 3 27.664 55.329 0.301 6.93 4 120.8 22.5 91 3 1 4 27.956 55.912 0.304 6.77 8 39.6 4.7 92 2 9 1 27.988 55.977 0.305 6.75 8 100.8 30.6 93 5 2 3 27.994 55.989 0.305 6.75 8 63.5 12.1 94 4 8 0 28.131 56.262 0.306 6.67 4 166.3 41.2 95 3 6 3 28.305 56.611 0.308 6.58 8 148.2 64.5 96 4 5 3 28.655 57.31 0.311 6.4 8 282.2 227.3 97 6 5 1 28.665 57.331 0.311 6.4 8 178.3 90.6 98 2 4 4 28.861 57.722 0.313 6.3 8 111.6 35.0 99 2 7 3 28.885 57.77 0.314 6.29 8 0.9 0.0 100 0 10 0 29.083 58.166 0.316 6.19 2 77.9 4.2 101 7 2 1 29.216 58.433 0.317 6.13 8 1.7 0.0 102 3 3 4 29.244 58.489 0.317 6.11 8 71.9 14.1 103 1 9 2 29.345 58.691 0.318 6.07 8 59.2 9.5 104 1 5 4 29.396 58.792 0.319 6.04 8 52.8 7.5 105 6 4 2 29.475 58.95 0.319 6.01 8 95.7 24.5 106 6 6 0 29.669 59.337 0.321 5.92 4 173.0 39.5 107 4 0 4 29.901 59.802 0.324 5.82 4 267.0 92.4 108 5 4 3 29.912 59.824 0.324 5.81 8 60.6 9.5 109 1 10 1 30.119 60.238 0.326 5.72 8 42.7 4.6 110 2 10 0 30.267 60.533 0.327 5.66 4 112.1 15.9 111 1 8 3 30.359 60.718 0.328 5.62 8 25.2 1.6 112 4 2 4 30.523 61.047 0.33 5.55 8 57.7 8.2 113 6 1 3 30.795 61.59 0.332 5.45 8 64.8 10.2 114 0 6 4 30.818 61.637 0.333 5.44 4 76.1 7.0 115 7 1 2 30.946 61.891 0.334 5.39 8 132.1 41.9 116 7 4 1 31.087 62.173 0.335 5.33 8 71.2 12.1 117 4 8 2 31.09 62.18 0.335 5.33 8 111.1 29.4 118 5 7 2 31.384 62.768 0.338 5.22 8 2.6 0.0 119 5 8 1 31.524 63.048 0.339 5.17 8 4.4 0.0 120 4 9 1 31.535 63.071 0.34 5.17 8 196.6 89.1 121 3 9 2 31.674 63.348 0.341 5.12 8 90.8 18.8 122 3 5 4 31.722 63.445 0.341 5.1 8 8.7 0.2 123 0 1 5 31.921 63.842 0.343 5.03 4 32.4 1.2 124 2 6 4 31.964 63.927 0.344 5.02 8 11.4 0.3 125 0 10 2 31.988 63.975 0.344 5.01 4 217.2 52.7 126 6 3 3 32.012 64.025 0.344 5.0 8 61.1 8.3 127 7 3 2 32.16 64.32 0.346 4.95 8 49.8 5.5 128 8 0 0 32.225 64.451 0.346 4.93 2 518.7 147.8 129 4 4 4 32.349 64.698 0.347 4.89 8 16.3 0.6 130 4 7 3 32.371 64.742 0.348 4.88 8 104.6 23.8 131 6 7 1 32.381 64.762 0.348 4.88 8 45.3 4.5 132 3 10 1 32.415 64.829 0.348 4.87 8 150.3 49.0 133 6 6 2 32.542 65.085 0.349 4.83 8 95.8 19.8 134 5 1 4 32.637 65.273 0.35 4.8 8 32.9 2.3 135 3 8 3 32.645 65.291 0.35 4.79 8 83.2 14.8 136 1 2 5 32.652 65.305 0.35 4.79 8 88.6 16.8 137 0 9 3 32.657 65.313 0.35 4.79 4 156.6 26.2 138 8 2 0 32.823 65.645 0.352 4.74 4 88.3 8.2 139 5 6 3 32.956 65.912 0.353 4.7 8 142.3 42.4 140 0 11 1 33.021 66.043 0.354 4.68 4 124.5 16.2 141 2 1 5 33.045 66.089 0.354 4.67 8 152.4 48.3 142 1 7 4 33.062 66.125 0.354 4.67 8 34.3 2.4 143 8 1 1 33.074 66.147 0.354 4.66 8 18.2 0.7 144 2 10 2 33.11 66.221 0.355 4.65 8 90.1 16.8 145 0 3 5 33.115 66.231 0.355 4.65 4 66.5 4.6 146 4 10 0 33.669 67.338 0.36 4.49 4 115.3 13.3 147 2 9 3 33.768 67.535 0.361 4.46 8 178.2 63.2 148 5 3 4 33.818 67.636 0.361 4.45 8 50.4 5.0 149 6 8 0 33.905 67.81 0.362 4.42 4 59.2 3.5 150 7 6 1 34.072 68.143 0.364 4.38 8 98.7 19.0 151 2 11 1 34.126 68.253 0.364 4.36 8 40.1 3.1 152 2 3 5 34.219 68.438 0.365 4.34 8 63.8 7.9 153 8 3 1 34.247 68.495 0.365 4.33 8 77.7 11.7 154 6 5 3 34.377 68.754 0.367 4.3 8 172.6 57.1 155 1 4 5 34.416 68.833 0.367 4.29 8 56.2 6.0 156 7 5 2 34.519 69.039 0.368 4.26 8 102.0 19.8 157 8 4 0 34.582 69.165 0.368 4.25 4 20.0 0.4 158 3 2 5 34.857 69.714 0.371 4.18 8 66.8 8.3 159 7 2 3 34.876 69.752 0.371 4.17 8 21.6 0.9 160 0 8 4 34.978 69.956 0.372 4.15 4 60.2 3.4 161 8 0 2 34.983 69.966 0.372 4.15 4 70.8 4.6 162 3 7 4 35.255 70.509 0.375 4.08 8 66.2 8.0 163 4 6 4 35.278 70.556 0.375 4.08 8 70.0 8.9 164 1 11 2 35.346 70.692 0.376 4.06 8 55.6 5.6 165 0 5 5 35.443 70.886 0.376 4.04 4 119.7 12.9 166 6 0 4 35.509 71.018 0.377 4.03 4 109.0 10.7 167 8 2 2 35.557 71.114 0.377 4.02 8 36.3 2.4 168 0 12 0 35.682 71.364 0.379 3.99 2 33.8 0.5 169 1 10 3 35.699 71.398 0.379 3.98 8 74.9 10.0 170 2 8 4 36.055 72.109 0.382 3.91 8 65.3 7.4 171 5 9 2 36.079 72.158 0.382 3.9 8 100.8 17.7 172 6 2 4 36.08 72.159 0.382 3.9 8 60.1 6.3 173 5 5 4 36.124 72.249 0.383 3.89 8 12.7 0.3 174 4 1 5 36.311 72.622 0.384 3.85 8 35.0 2.1 175 4 10 2 36.374 72.748 0.385 3.84 8 297.0 151.1 176 2 5 5 36.514 73.028 0.386 3.81 8 141.1 33.8 177 8 5 1 36.542 73.083 0.386 3.81 8 190.9 61.9 178 3 4 5 36.571 73.142 0.387 3.8 8 70.3 8.4 179 7 4 3 36.589 73.179 0.387 3.8 8 27.3 1.3 180 6 8 2 36.602 73.204 0.387 3.8 8 44.5 3.4 181 1 12 1 36.616 73.233 0.387 3.79 8 8.2 0.1 182 2 12 0 36.75 73.501 0.388 3.77 4 71.7 4.3 183 5 10 1 36.776 73.553 0.389 3.76 8 128.1 27.5 184 5 8 3 36.994 73.988 0.391 3.72 8 82.2 11.2 185 4 9 3 37.005 74.009 0.391 3.72 8 52.6 4.6 186 6 9 1 37.014 74.028 0.391 3.72 8 128.1 27.2 187 8 4 2 37.258 74.516 0.393 3.67 8 74.1 9.0 188 1 6 5 37.27 74.539 0.393 3.67 8 51.0 4.3 189 4 11 1 37.35 74.7 0.394 3.66 8 47.4 3.7 190 8 6 0 37.43 74.86 0.395 3.64 4 65.4 3.5 191 4 3 5 37.439 74.878 0.395 3.64 8 46.9 3.6 192 3 11 2 37.478 74.957 0.395 3.63 8 45.7 3.4 193 1 9 4 37.657 75.313 0.397 3.6 8 24.3 0.9 194 6 4 4 37.771 75.542 0.398 3.58 8 66.3 7.0 195 6 7 3 37.792 75.584 0.398 3.58 8 7.0 0.1 196 3 10 3 37.823 75.647 0.398 3.57 8 0.0 0.0 197 7 7 2 37.929 75.858 0.399 3.56 8 89.3 12.6 198 7 8 1 38.057 76.115 0.4 3.53 8 29.9 1.4 199 9 2 1 38.082 76.164 0.4 3.53 8 45.5 3.3 200 0 12 2 38.327 76.653 0.403 3.49 4 99.5 7.7 201 0 11 3 38.391 76.783 0.403 3.48 4 4.2 0.0 202 8 1 3 38.441 76.881 0.404 3.47 8 135.8 28.5 203 3 12 1 38.722 77.444 0.406 3.43 8 0.2 0.0 204 0 7 5 38.82 77.641 0.407 3.42 4 82.8 5.2 205 6 10 0 39.01 78.02 0.409 3.39 4 173.2 22.7 206 7 1 4 39.084 78.169 0.409 3.38 8 6.3 0.1 207 5 2 5 39.099 78.198 0.409 3.38 8 0.5 0.0 208 0 0 6 39.184 78.367 0.41 3.36 2 140.4 7.4 209 4 8 4 39.215 78.43 0.41 3.36 8 45.8 3.1 210 3 6 5 39.363 78.726 0.412 3.34 8 149.8 33.4 211 2 12 2 39.369 78.738 0.412 3.34 8 3.8 0.0 212 7 6 3 39.381 78.762 0.412 3.34 8 49.7 3.7 213 2 11 3 39.433 78.866 0.412 3.33 8 110.2 18.0 214 5 7 4 39.481 78.961 0.413 3.32 8 59.1 5.2 215 8 3 3 39.548 79.096 0.413 3.31 8 35.3 1.8 216 1 1 6 39.581 79.162 0.414 3.31 8 49.8 3.7 217 9 1 2 39.617 79.234 0.414 3.3 8 3.3 0.0 218 4 5 5 39.662 79.323 0.414 3.3 8 218.5 70.2 219 0 2 6 39.735 79.471 0.415 3.29 4 33.3 0.8 220 3 9 4 39.744 79.488 0.415 3.29 8 23.0 0.8 221 9 4 1 39.744 79.488 0.415 3.29 8 78.9 9.1 222 0 13 1 39.837 79.674 0.416 3.28 4 72.5 3.8 223 2 7 5 39.859 79.718 0.416 3.27 8 41.2 2.5 224 8 7 1 39.886 79.772 0.416 3.27 8 9.9 0.1 225 4 12 0 39.892 79.783 0.416 3.27 4 73.9 4.0 226 0 10 4 40.029 80.059 0.417 3.25 4 122.0 10.8 227 8 6 2 40.034 80.069 0.418 3.25 8 25.2 0.9 228 7 3 4 40.187 80.374 0.419 3.23 8 46.9 3.2 229 2 0 6 40.22 80.439 0.419 3.23 4 276.6 55.1 230 6 6 4 40.537 81.074 0.422 3.19 8 50.0 3.6 231 1 3 6 40.68 81.36 0.423 3.17 8 126.3 22.6 232 9 3 2 40.716 81.432 0.423 3.17 8 18.4 0.5 233 5 4 5 40.75 81.499 0.424 3.17 8 53.6 4.1 234 2 2 6 40.768 81.536 0.424 3.16 8 50.6 3.6 235 2 13 1 40.869 81.738 0.425 3.15 8 52.0 3.8 236 2 10 4 41.06 82.12 0.426 3.13 8 217.3 65.9 237 1 8 5 41.142 82.283 0.427 3.12 8 10.2 0.1 238 8 8 0 41.298 82.596 0.428 3.11 4 147.5 15.1 239 0 4 6 41.38 82.76 0.429 3.1 4 4.6 0.0 240 6 1 5 41.526 83.053 0.43 3.08 8 102.2 14.4 241 6 10 2 41.587 83.174 0.431 3.08 8 72.6 7.2 242 5 11 2 41.63 83.259 0.431 3.07 8 13.4 0.2 243 3 1 6 41.642 83.285 0.431 3.07 8 25.1 0.9 244 8 5 3 41.74 83.479 0.432 3.06 8 119.5 19.5 245 10 0 0 41.802 83.605 0.433 3.06 2 65.2 1.4 246 1 12 3 41.811 83.623 0.433 3.06 8 75.7 7.8 247 5 10 3 41.966 83.931 0.434 3.04 8 38.4 2.0 248 1 13 2 42.02 84.041 0.435 3.04 8 30.2 1.2 249 6 9 3 42.195 84.39 0.436 3.02 8 158.0 33.6 250 7 9 2 42.328 84.657 0.437 3.01 8 89.6 10.8 251 10 2 0 42.347 84.693 0.437 3.01 4 80.8 4.4 252 7 5 4 42.372 84.743 0.437 3.01 8 96.7 12.5 253 2 4 6 42.404 84.808 0.438 3.0 8 57.4 4.4 254 4 12 2 42.457 84.913 0.438 3.0 8 62.6 5.2 255 9 6 1 42.478 84.955 0.438 3.0 8 86.3 9.9 256 4 11 3 42.52 85.04 0.439 2.99 8 60.4 4.9 257 6 11 1 42.529 85.057 0.439 2.99 8 1.4 0.0 258 10 1 1 42.577 85.154 0.439 2.99 8 68.2 6.2 259 6 3 5 42.615 85.23 0.439 2.98 8 44.5 2.6 260 3 3 6 42.731 85.461 0.44 2.98 8 6.7 0.1 261 8 0 4 42.807 85.615 0.441 2.97 4 143.7 13.7 262 5 12 1 42.843 85.686 0.441 2.97 8 61.2 5.0 263 1 5 6 42.86 85.721 0.442 2.96 8 41.0 2.2 264 0 14 0 42.883 85.766 0.442 2.96 2 96.1 3.0 265 9 5 2 42.896 85.792 0.442 2.96 8 9.7 0.1 266 4 7 5 42.94 85.879 0.442 2.96 8 42.5 2.4 267 7 10 1 42.997 85.994 0.443 2.95 8 21.8 0.6 268 1 11 4 43.15 86.301 0.444 2.94 8 45.9 2.8 269 3 8 5 43.189 86.377 0.444 2.94 8 33.5 1.5 270 0 9 5 43.199 86.398 0.444 2.94 4 102.4 6.9 271 7 8 3 43.206 86.413 0.444 2.94 8 32.9 1.4 272 9 2 3 43.23 86.461 0.445 2.94 8 0.2 0.0 273 4 0 6 43.296 86.591 0.445 2.93 4 81.3 4.3 274 8 2 4 43.35 86.7 0.446 2.93 8 68.3 6.1 275 5 6 5 43.472 86.944 0.447 2.92 8 90.5 10.6 276 10 3 1 43.662 87.324 0.448 2.91 8 67.5 5.9 277 1 14 1 43.774 87.549 0.449 2.9 8 25.5 0.8 278 4 2 6 43.838 87.676 0.45 2.89 8 27.3 1.0 279 5 9 4 43.846 87.692 0.45 2.89 8 70.1 6.3 280 8 8 2 43.849 87.698 0.45 2.89 8 58.5 4.4 281 3 12 3 43.854 87.708 0.45 2.89 8 11.1 0.2 282 2 14 0 43.903 87.806 0.45 2.89 4 216.9 30.3 283 4 13 1 43.938 87.876 0.45 2.89 8 62.0 4.9 284 10 4 0 43.975 87.949 0.451 2.89 4 64.1 2.6 285 3 13 2 44.062 88.124 0.451 2.88 8 47.3 2.9 286 0 6 6 44.097 88.194 0.452 2.88 4 57.8 2.1 287 4 10 4 44.127 88.255 0.452 2.88 8 73.0 6.8 288 2 9 5 44.218 88.437 0.453 2.87 8 89.0 10.1 289 8 9 1 44.245 88.49 0.453 2.87 8 50.4 3.3 290 6 8 4 44.345 88.691 0.454 2.86 8 88.7 10.0 291 10 0 2 44.35 88.7 0.454 2.86 4 253.7 41.1 292 6 5 5 44.784 89.568 0.457 2.84 8 119.2 18.0 293 9 4 3 44.856 89.712 0.458 2.84 8 22.7 0.7 294 10 2 2 44.892 89.783 0.458 2.83 8 56.7 4.1 295 3 5 6 44.899 89.798 0.458 2.83 8 110.5 15.4 296 0 13 3 44.948 89.895 0.459 2.83 4 70.9 3.2 297 8 4 4 44.976 89.951 0.459 2.83 8 227.1 65.1 298 8 7 3 44.996 89.991 0.459 2.83 8 92.3 10.7 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 2 0 5.579 11.158 7.9235 331.7 38.7 39.2 5.6 2 0 1 1 6.66 13.32 6.64156 13.1 1.5 1.5 5.6 3 2 0 0 7.661 15.322 5.778 208.4 24.3 24.5 5.6 4 1 2 1 9.094 18.188 4.87342 145.0 16.9 17.0 5.6 5 2 2 0 9.497 18.994 4.66854 151.5 17.7 17.8 5.6 6 2 1 1 10.178 20.355 4.35922 710.3 82.8 83.4 5.6 7 0 3 1 10.362 20.724 4.28248 103.1 12.0 12.1 5.6 8 0 0 2 12.158 24.315 3.6575 37.1 4.3 4.3 5.6 9 2 3 1 12.937 25.875 3.44051 26.3 3.1 3.1 5.6 10 1 1 2 13.073 26.145 3.40554 169.9 19.8 19.9 5.6 11 1 4 1 13.353 26.705 3.33538 265.0 30.9 31.0 5.6 12 0 2 2 13.412 26.825 3.32078 132.7 15.5 15.5 5.6 13 2 4 0 13.635 27.271 3.26745 81.7 9.5 9.5 5.6 14 3 2 1 14.242 28.484 3.13094 509.6 59.4 59.4 5.6 15 2 0 2 14.433 28.866 3.09038 857.5 100.0 100.0 5.6 16 0 5 1 15.359 30.718 2.90816 449.9 52.5 52.4 5.6 17 4 0 0 15.464 30.927 2.889 185.1 21.6 21.5 5.6 18 2 2 2 15.518 31.036 2.87914 110.9 12.9 12.9 5.6 19 4 2 0 16.487 32.974 2.71421 63.1 7.4 7.3 5.6 20 0 4 2 16.656 33.313 2.68737 74.7 8.7 8.7 5.6 21 4 1 1 16.903 33.807 2.64922 345.4 40.3 40.1 5.7 22 0 6 0 16.956 33.913 2.64117 34.4 4.0 4.0 5.7 23 3 1 2 17.125 34.25 2.61595 73.3 8.5 8.5 5.7 24 2 5 1 17.249 34.498 2.59769 465.3 54.3 54.0 5.7 25 3 4 1 17.345 34.69 2.58375 105.4 12.3 12.2 5.7 26 2 4 2 18.428 36.856 2.43671 475.7 55.5 55.1 5.7 27 1 6 1 18.491 36.982 2.42871 102.9 12.0 11.9 5.7 28 0 1 3 18.64 37.28 2.40997 88.1 10.3 10.2 5.7 29 2 6 0 18.703 37.407 2.40211 69.4 8.1 8.0 5.7 30 4 3 1 18.761 37.522 2.39498 30.4 3.5 3.5 5.7 31 3 3 2 18.964 37.927 2.37032 9.2 1.1 1.1 5.7 32 1 5 2 19.173 38.346 2.34537 16.9 2.0 2.0 5.7 33 4 0 2 19.863 39.726 2.26707 66.1 7.7 7.6 5.7 34 2 1 3 20.262 40.524 2.22425 19.8 2.3 2.3 5.7 35 0 3 3 20.361 40.722 2.21385 60.0 7.0 6.9 5.7 36 4 2 2 20.696 41.391 2.17961 181.8 21.2 21.0 5.7 37 0 7 1 20.865 41.731 2.16266 16.7 1.9 1.9 5.7 38 0 6 2 21.084 42.168 2.14124 64.6 7.5 7.4 5.7 39 5 2 1 21.272 42.543 2.12322 30.1 3.5 3.5 5.7 40 2 3 3 21.876 43.752 2.0673 25.5 3.0 2.9 5.7 41 4 5 1 22.075 44.151 2.04957 202.6 23.6 23.3 5.7 42 2 7 1 22.353 44.705 2.02543 45.5 5.3 5.2 5.7 43 2 6 2 22.56 45.119 2.0078 56.7 6.6 6.5 5.7 44 3 2 3 22.725 45.45 1.99395 60.5 7.1 6.9 5.7 45 0 8 0 22.883 45.767 1.98088 103.9 12.1 11.9 5.7 46 4 4 2 23.046 46.091 1.96768 27.2 3.2 3.1 5.7 47 4 6 0 23.275 46.551 1.94933 13.5 1.6 1.6 5.7 48 5 1 2 23.405 46.81 1.93912 42.0 4.9 4.8 5.7 49 0 5 3 23.489 46.978 1.93258 73.7 8.6 8.4 5.7 50 5 4 1 23.576 47.151 1.92589 98.6 11.5 11.3 5.7 51 1 7 2 23.933 47.866 1.89879 46.2 5.4 5.3 5.7 52 1 8 1 24.101 48.201 1.88636 15.0 1.8 1.7 5.7 53 2 8 0 24.272 48.545 1.87382 31.9 3.7 3.6 5.7 54 6 2 0 24.304 48.609 1.8715 10.1 1.2 1.2 5.7 55 6 1 1 24.608 49.217 1.84979 75.4 8.8 8.6 5.7 56 2 5 3 24.852 49.704 1.83278 109.1 12.7 12.5 5.7 57 0 0 4 24.911 49.821 1.82875 66.6 7.8 7.6 5.7 58 0 2 4 25.612 51.225 1.78191 21.5 2.5 2.4 5.8 59 1 6 3 25.79 51.581 1.77043 9.5 1.1 1.1 5.8 60 4 3 3 25.998 51.997 1.75724 123.3 14.4 14.0 5.8 61 0 8 2 26.246 52.492 1.74182 19.0 2.2 2.2 5.8 62 4 7 1 26.418 52.836 1.7313 84.8 9.9 9.6 5.8 63 4 6 2 26.601 53.201 1.72026 35.5 4.1 4.0 5.8 64 6 0 2 26.872 53.744 1.70416 59.2 6.9 6.7 5.8 65 5 6 1 27.079 54.158 1.69212 14.3 1.7 1.6 5.8 66 6 2 2 27.538 55.076 1.66606 18.9 2.2 2.1 5.8 67 5 5 2 27.59 55.18 1.66318 12.5 1.5 1.4 5.8 68 0 4 4 27.64 55.28 1.66039 236.2 27.5 26.8 5.8 69 2 9 1 27.988 55.977 1.64136 42.7 5.0 4.8 5.8 70 4 8 0 28.131 56.262 1.63373 41.2 4.8 4.7 5.8 71 3 6 3 28.305 56.611 1.62447 64.5 7.5 7.3 5.8 72 4 5 3 28.655 57.31 1.60632 317.9 37.1 36.0 5.8 73 2 4 4 28.861 57.722 1.59581 35.0 4.1 4.0 5.8 74 3 3 4 29.244 58.489 1.57672 14.1 1.6 1.6 5.8 75 1 9 2 29.345 58.691 1.57176 9.5 1.1 1.1 5.8 76 6 4 2 29.475 58.95 1.56547 24.5 2.9 2.8 5.8 77 6 6 0 29.669 59.337 1.55618 39.5 4.6 4.5 5.8 78 4 0 4 29.901 59.802 1.54519 101.9 11.9 11.5 5.8 79 2 10 0 30.267 60.533 1.52826 15.9 1.8 1.8 5.8 80 6 1 3 30.795 61.59 1.50456 17.2 2.0 1.9 5.8 81 7 1 2 30.946 61.891 1.49795 41.9 4.9 4.7 5.8 82 4 8 2 31.09 62.18 1.49168 41.4 4.8 4.7 5.8 83 4 9 1 31.535 63.071 1.47274 89.1 10.4 10.0 5.9 84 3 9 2 31.674 63.348 1.46695 18.8 2.2 2.1 5.9 85 0 10 2 31.988 63.975 1.45408 61.0 7.1 6.8 5.9 86 8 0 0 32.225 64.451 1.4445 147.8 17.2 16.5 5.9 87 4 7 3 32.371 64.742 1.43869 28.3 3.3 3.2 5.9 88 3 10 1 32.415 64.829 1.43697 49.0 5.7 5.5 5.9 89 6 6 2 32.542 65.085 1.43196 19.8 2.3 2.2 5.9 90 0 9 3 32.657 65.313 1.42749 60.1 7.0 6.7 5.9 91 5 6 3 32.956 65.912 1.41597 42.4 4.9 4.7 5.9 92 2 1 5 33.045 66.089 1.4126 67.7 7.9 7.5 5.9 93 2 10 2 33.11 66.221 1.41011 21.4 2.5 2.4 5.9 94 4 10 0 33.669 67.338 1.3894 13.3 1.6 1.5 5.9 95 2 9 3 33.768 67.535 1.38583 63.2 7.4 7.0 5.9 96 7 6 1 34.072 68.143 1.37494 19.0 2.2 2.1 5.9 97 8 3 1 34.247 68.495 1.36873 19.5 2.3 2.2 5.9 98 6 5 3 34.377 68.754 1.36421 57.1 6.7 6.3 5.9 99 7 5 2 34.519 69.039 1.35928 19.8 2.3 2.2 5.9 100 3 2 5 34.857 69.714 1.34775 9.2 1.1 1.0 5.9 101 4 6 4 35.278 70.556 1.33371 16.9 2.0 1.9 5.9 102 0 5 5 35.443 70.886 1.32831 12.9 1.5 1.4 5.9 103 6 0 4 35.509 71.018 1.32617 10.7 1.2 1.2 5.9 104 1 10 3 35.699 71.398 1.32004 10.0 1.2 1.1 5.9 105 5 9 2 36.079 72.158 1.30799 31.4 3.7 3.5 5.9 106 4 10 2 36.374 72.748 1.29884 151.1 17.6 16.7 6.0 107 8 5 1 36.542 73.083 1.2937 105.4 12.3 11.6 6.0 108 5 10 1 36.776 73.553 1.28661 31.8 3.7 3.5 6.0 109 6 9 1 37.014 74.028 1.27952 43.0 5.0 4.7 6.0 110 8 4 2 37.258 74.516 1.27234 13.2 1.5 1.5 6.0 111 7 7 2 37.929 75.858 1.25314 12.6 1.5 1.4 6.0 112 8 1 3 38.441 76.881 1.23898 28.5 3.3 3.1 6.0 113 6 10 0 39.01 78.02 1.22372 22.7 2.6 2.5 6.0 114 3 6 5 39.363 78.726 1.2145 37.1 4.3 4.0 6.0 115 2 11 3 39.433 78.866 1.2127 18.0 2.1 2.0 6.0 116 4 5 5 39.662 79.323 1.20686 70.2 8.2 7.6 6.0 117 9 4 1 39.744 79.488 1.20477 9.1 1.1 1.0 6.0 118 0 10 4 40.029 80.059 1.19761 11.7 1.4 1.3 6.0 119 2 0 6 40.22 80.439 1.1929 55.1 6.4 6.0 6.0 120 1 3 6 40.68 81.36 1.18171 22.6 2.6 2.4 6.1 121 2 10 4 41.06 82.12 1.17269 65.9 7.7 7.1 6.1 122 8 8 0 41.298 82.596 1.16714 15.1 1.8 1.6 6.1 123 6 1 5 41.526 83.053 1.16187 14.4 1.7 1.5 6.1 124 8 5 3 41.74 83.479 1.15702 19.5 2.3 2.1 6.1 125 1 12 3 41.811 83.623 1.1554 9.3 1.1 1.0 6.1 126 6 9 3 42.195 84.39 1.14684 33.6 3.9 3.6 6.1 127 7 9 2 42.328 84.657 1.1439 15.1 1.8 1.6 6.1 128 7 5 4 42.372 84.743 1.14296 12.5 1.5 1.3 6.1 129 9 6 1 42.478 84.955 1.14065 15.2 1.8 1.6 6.1 130 8 0 4 42.807 85.615 1.13354 13.7 1.6 1.5 6.1 131 0 9 5 43.199 86.398 1.12526 9.8 1.1 1.0 6.1 132 5 6 5 43.472 86.944 1.11959 10.6 1.2 1.1 6.1 133 5 9 4 43.846 87.692 1.11196 10.9 1.3 1.2 6.2 134 2 14 0 43.903 87.806 1.11081 30.3 3.5 3.2 6.2 135 4 10 4 44.127 88.255 1.10632 9.0 1.0 1.0 6.2 136 2 9 5 44.218 88.437 1.10451 13.4 1.6 1.4 6.2 137 10 0 2 44.35 88.7 1.10191 51.1 6.0 5.4 6.2 138 6 5 5 44.784 89.568 1.09347 18.0 2.1 1.9 6.2 139 3 5 6 44.899 89.798 1.09127 19.5 2.3 2.1 6.2 140 8 4 4 44.976 89.951 1.08981 79.0 9.2 8.4 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) |