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 *** *********************** LAURIONITE 1, td-matlockite, f-laurionite Pb(OH)Cl Orthorhombic P cmn Z = 4 R =0.057 NR =686 29 .11 .1989 Ref.Str.: C.C. Venetopoulos, P.J. Pentzeperis (1975) * Z. Kristallogr., 141, 246-259 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.699 alpha = 90.0 b = 4.02 beta = 90.0 c = 7.111 gamma = 90.0 Unit cell volume (cub. angs.) = 277.26 Molar volume ( cub.cm/mol.) = 41.75 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0877 0.25 0.7974 0.0 Pb = 1.00 2 0.8202 0.25 0.5564 0.0 Cl = 1.00 3 0.0422 0.25 0.1223 0.0 O = 1.00 4 0.11 0.25 0.223 0.0 H = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0877 0.25 0.7974 2 2 0.8202 0.25 0.5564 3 3 0.0422 0.25 0.1223 4 4 0.11 0.25 0.223 5 1 0.9123 0.75 0.2026 6 2 0.1798 0.75 0.4436 7 3 0.9578 0.75 0.8777 8 4 0.89 0.75 0.777 9 1 0.4123 0.25 0.2974 10 2 0.6798 0.25 0.0564 11 3 0.4578 0.25 0.6223 12 4 0.39 0.25 0.723 13 1 0.5877 0.75 0.7026 14 2 0.3202 0.75 0.9436 15 3 0.5422 0.75 0.3777 16 4 0.61 0.75 0.277 X-ray density (g/cm cub.) = 6.22 MU (1/cm) = 1800.904 Mass attenuation coefficient (cm**2/g) = 289.602 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pb 3.684 8 3.1094 2 2.3521 3 3.3418 2 3.3418 2 2.44 3 2.44 3 3.1947 2 3.1947 2 2 Cl 4.344 12 4.02 2 4.02 2 3.7636 3 4.1046 2 4.1046 2 3.3229 3 3.3229 3 3.8074 2 3.8073 2 3.546 3 3.5951 3 3.5951 3 3 O 3.804 8 3.7636 2 3.3229 2 3.3229 2 2.7813 3 2.7813 3 3.546 2 3.5951 2 3.5951 2 4 H 2.172 1 0.9722 3 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 0 1 8.973 17.946 0.087 79.28 4 74.6 2296.9 2 2 0 0 10.629 21.257 0.103 55.88 2 126.9 2342.1 3 2 0 1 12.9 25.8 0.125 37.27 4 230.1 10269.1 4 1 1 0 13.937 27.874 0.135 31.64 4 114.8 2170.9 5 0 0 2 14.57 29.141 0.141 28.78 2 206.1 3179.5 6 1 0 2 15.542 31.084 0.15 25.06 4 111.2 1611.9 7 1 1 1 15.767 31.534 0.152 24.3 8 228.0 13141.7 8 3 0 1 17.693 35.386 0.17 18.92 4 52.2 268.7 9 2 0 2 18.176 36.353 0.174 17.83 4 131.5 1605.2 10 2 1 1 18.373 36.745 0.176 17.42 8 120.9 2648.9 11 0 1 2 19.624 39.248 0.188 15.06 4 101.9 813.2 12 1 1 2 20.382 40.764 0.195 13.84 8 155.8 3495.2 13 3 1 0 20.796 41.591 0.198 13.23 4 307.4 6507.8 14 4 0 0 21.647 43.294 0.206 12.09 2 163.6 842.7 15 3 0 2 21.959 43.918 0.209 11.71 4 130.0 1030.4 16 3 1 1 22.127 44.254 0.211 11.51 8 46.9 263.2 17 2 1 2 22.53 45.06 0.214 11.05 8 69.7 559.3 18 1 0 3 22.859 45.718 0.217 10.7 4 205.0 2338.4 19 4 0 1 22.939 45.877 0.218 10.61 4 211.7 2474.4 20 2 0 3 24.836 49.672 0.235 8.86 4 184.8 1575.5 21 3 1 2 25.794 51.587 0.243 8.13 8 210.9 3763.3 22 0 2 0 26.424 52.847 0.249 7.7 2 326.2 2129.9 23 4 0 2 26.52 53.039 0.25 7.63 4 124.1 611.4 24 1 1 3 26.594 53.189 0.25 7.58 8 136.6 1472.6 25 4 1 1 26.666 53.331 0.251 7.54 8 35.0 96.0 26 3 0 3 27.899 55.798 0.262 6.8 4 27.8 27.3 27 1 2 1 28.135 56.269 0.264 6.67 8 60.9 257.8 28 2 1 3 28.38 56.76 0.266 6.54 8 170.4 1976.3 29 5 0 1 28.552 57.104 0.267 6.45 4 97.8 321.2 30 2 2 0 28.797 57.595 0.269 6.33 4 105.7 367.9 31 2 2 1 29.859 59.718 0.278 5.83 8 197.8 2375.6 32 4 1 2 29.925 59.851 0.279 5.81 8 87.2 459.2 33 0 0 4 30.208 60.416 0.281 5.69 2 83.4 103.0 34 0 2 2 30.743 61.487 0.286 5.47 4 178.8 909.5 35 1 0 4 30.765 61.531 0.286 5.46 4 86.7 213.3 36 5 1 0 30.796 61.592 0.286 5.45 4 134.1 509.6 37 3 1 3 31.206 62.413 0.29 5.29 8 29.6 48.3 38 1 2 2 31.295 62.59 0.29 5.26 8 91.6 459.4 39 5 0 2 31.686 63.373 0.294 5.11 4 21.6 12.4 40 5 1 1 31.817 63.634 0.295 5.07 8 210.8 2343.9 41 4 0 3 31.851 63.701 0.295 5.06 4 102.7 277.4 42 2 0 4 32.404 64.808 0.3 4.87 4 23.7 14.3 43 3 2 1 32.608 65.215 0.301 4.81 8 36.9 68.1 44 2 2 2 32.919 65.837 0.304 4.71 8 110.0 593.5 45 0 1 4 33.377 66.754 0.308 4.57 4 265.0 1670.6 46 6 0 0 33.596 67.192 0.309 4.51 2 208.8 511.8 47 1 1 4 33.905 67.81 0.312 4.42 8 38.6 68.5 48 6 0 1 34.572 69.145 0.317 4.25 4 53.8 64.0 49 5 1 2 34.782 69.564 0.319 4.2 8 57.8 146.1 50 4 1 3 34.939 69.877 0.32 4.16 8 178.2 1375.3 51 3 0 4 35.043 70.086 0.321 4.13 4 232.0 1158.1 52 4 2 0 35.311 70.623 0.323 4.07 4 142.9 432.8 53 2 1 4 35.467 70.935 0.324 4.04 8 78.4 258.3 54 3 2 2 35.539 71.078 0.325 4.02 8 117.1 573.8 55 1 2 3 36.207 72.414 0.33 3.88 8 175.7 1245.7 56 4 2 1 36.267 72.534 0.331 3.86 8 186.4 1397.6 57 5 0 3 36.572 73.144 0.333 3.8 4 155.4 477.6 58 6 0 2 37.433 74.866 0.34 3.64 4 216.7 889.8 59 6 1 1 37.554 75.108 0.341 3.62 8 14.7 8.2 60 2 2 3 37.728 75.457 0.342 3.59 8 159.8 954.2 61 3 1 4 38.01 76.019 0.344 3.54 8 78.4 226.7 62 4 0 4 38.6 77.2 0.349 3.45 4 59.7 63.9 63 4 2 2 39.079 78.158 0.352 3.38 8 109.7 422.8 64 1 0 5 39.468 78.937 0.355 3.32 4 189.7 622.7 65 5 1 3 39.496 78.992 0.356 3.32 8 155.4 834.8 66 3 2 3 40.221 80.441 0.361 3.23 8 24.9 20.8 67 6 1 2 40.337 80.674 0.362 3.21 8 146.3 715.9 68 5 2 1 40.772 81.544 0.365 3.16 8 85.9 242.7 69 2 0 5 40.951 81.902 0.366 3.14 4 5.6 0.5 70 7 0 1 41.124 82.248 0.368 3.12 4 51.4 42.9 71 4 1 4 41.481 82.962 0.37 3.09 8 130.4 546.5 72 6 0 3 42.048 84.096 0.374 3.03 4 1.1 0.0 73 0 2 4 42.198 84.397 0.375 3.02 4 76.6 92.2 74 1 1 5 42.335 84.671 0.376 3.01 8 37.4 43.7 75 1 3 0 42.365 84.729 0.377 3.01 4 91.4 130.7 76 1 2 4 42.688 85.375 0.379 2.98 8 79.2 194.3 77 5 0 4 43.037 86.075 0.382 2.95 4 99.1 150.8 78 7 1 0 43.065 86.129 0.382 2.95 4 169.2 439.1 79 1 3 1 43.274 86.548 0.383 2.93 8 178.1 968.2 80 3 0 5 43.4 86.8 0.384 2.92 4 31.8 15.4 81 5 2 2 43.506 87.012 0.385 2.92 8 22.2 15.0 82 4 2 3 43.653 87.307 0.386 2.91 8 91.9 255.7 83 2 1 5 43.801 87.602 0.387 2.9 8 188.7 1073.3 84 7 0 2 43.855 87.711 0.387 2.89 4 72.0 78.1 85 7 1 1 43.972 87.945 0.388 2.89 8 158.7 756.9 86 2 2 4 44.152 88.304 0.389 2.88 8 23.4 16.4 87 2 3 1 44.737 89.474 0.393 2.84 8 86.3 220.5 88 6 1 3 44.89 89.78 0.395 2.83 8 27.9 23.0 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 1 0 1 8.973 17.946 5.7348 2296.9 17.5 17.7 5.6 2 2 0 0 10.629 21.257 4.8495 2342.1 17.8 18.0 5.6 3 2 0 1 12.9 25.8 4.0065 10269.1 78.1 78.5 5.6 4 1 1 0 13.937 27.874 3.71365 2170.9 16.5 16.6 5.6 5 0 0 2 14.57 29.141 3.5555 3179.5 24.2 24.2 5.6 6 1 0 2 15.542 31.084 3.33826 1611.9 12.3 12.3 5.6 7 1 1 1 15.767 31.534 3.29179 13141.7 100.0 100.0 5.6 8 3 0 1 17.693 35.386 2.9431 268.7 2.0 2.0 5.7 9 2 0 2 18.176 36.353 2.8674 1605.2 12.2 12.2 5.7 10 2 1 1 18.373 36.745 2.83779 2648.9 20.2 20.1 5.7 11 0 1 2 19.624 39.248 2.66327 813.2 6.2 6.1 5.7 12 1 1 2 20.382 40.764 2.56821 3495.2 26.6 26.4 5.7 13 3 1 0 20.796 41.591 2.51934 6507.8 49.5 49.1 5.7 14 4 0 0 21.647 43.294 2.42475 842.7 6.4 6.3 5.7 15 3 0 2 21.959 43.918 2.39198 1030.4 7.8 7.7 5.7 16 3 1 1 22.127 44.254 2.37471 263.2 2.0 2.0 5.7 17 2 1 2 22.53 45.06 2.3344 559.3 4.3 4.2 5.7 18 1 0 3 22.859 45.718 2.30257 2338.4 17.8 17.5 5.7 19 4 0 1 22.939 45.877 2.295 2474.4 18.8 18.6 5.7 20 2 0 3 24.836 49.672 2.12956 1575.5 12.0 11.8 5.7 21 3 1 2 25.794 51.587 2.05561 3763.3 28.6 28.0 5.8 22 0 2 0 26.424 52.847 2.01 2129.9 16.2 15.8 5.8 23 4 0 2 26.52 53.039 2.00325 611.4 4.7 4.5 5.8 24 1 1 3 26.594 53.189 1.99803 1472.6 11.2 11.0 5.8 25 1 2 1 28.135 56.269 1.89686 257.8 2.0 1.9 5.8 26 2 1 3 28.38 56.76 1.88182 1976.3 15.0 14.6 5.8 27 5 0 1 28.552 57.104 1.87142 321.2 2.4 2.4 5.8 28 2 2 0 28.797 57.595 1.85683 367.9 2.8 2.7 5.8 29 2 2 1 29.859 59.718 1.79659 2375.6 18.1 17.5 5.8 30 4 1 2 29.925 59.851 1.79297 459.2 3.5 3.4 5.8 31 0 2 2 30.743 61.487 1.74975 1122.8 8.5 8.3 5.8 32 5 1 0 30.796 61.592 1.74704 509.6 3.9 3.7 5.8 33 1 2 2 31.295 62.59 1.72196 459.4 3.5 3.4 5.8 34 5 1 1 31.817 63.634 1.69659 2343.9 17.8 17.2 5.9 35 4 0 3 31.851 63.701 1.69499 277.4 2.1 2.0 5.9 36 2 2 2 32.919 65.837 1.64589 593.5 4.5 4.3 5.9 37 0 1 4 33.377 66.754 1.62586 1670.6 12.7 12.2 5.9 38 6 0 0 33.596 67.192 1.6165 511.8 3.9 3.7 5.9 39 5 1 2 34.782 69.564 1.56798 146.1 1.1 1.1 5.9 40 4 1 3 34.939 69.877 1.56184 1375.3 10.5 10.0 5.9 41 3 0 4 35.043 70.086 1.55777 1158.1 8.8 8.4 5.9 42 4 2 0 35.311 70.623 1.54745 432.8 3.3 3.1 5.9 43 2 1 4 35.467 70.935 1.54153 258.3 2.0 1.9 5.9 44 3 2 2 35.539 71.078 1.53883 573.8 4.4 4.2 5.9 45 1 2 3 36.207 72.414 1.51423 1245.7 9.5 9.0 5.9 46 4 2 1 36.267 72.534 1.51207 1397.6 10.6 10.1 5.9 47 5 0 3 36.572 73.144 1.50119 477.6 3.6 3.4 6.0 48 6 0 2 37.433 74.866 1.47155 889.8 6.8 6.4 6.0 49 2 2 3 37.728 75.457 1.46173 954.2 7.3 6.8 6.0 50 3 1 4 38.01 76.019 1.45253 226.7 1.7 1.6 6.0 51 4 2 2 39.079 78.158 1.41889 422.8 3.2 3.0 6.0 52 5 1 3 39.496 78.992 1.40633 1457.6 11.1 10.4 6.0 53 6 1 2 40.337 80.674 1.38188 715.9 5.4 5.1 6.1 54 5 2 1 40.772 81.544 1.36967 242.7 1.8 1.7 6.1 55 4 1 4 41.481 82.962 1.35039 546.5 4.2 3.9 6.1 56 1 3 0 42.365 84.729 1.32739 174.5 1.3 1.2 6.1 57 1 2 4 42.688 85.375 1.31926 194.3 1.5 1.4 6.1 58 7 1 0 43.065 86.129 1.30995 590.0 4.5 4.1 6.1 59 1 3 1 43.274 86.548 1.30485 968.2 7.4 6.8 6.1 60 4 2 3 43.653 87.307 1.29577 255.7 1.9 1.8 6.2 61 2 1 5 43.801 87.602 1.29229 1073.3 8.2 7.5 6.2 62 7 1 1 43.972 87.945 1.28827 756.9 5.8 5.3 6.2 63 2 3 1 44.737 89.474 1.27081 220.5 1.7 1.5 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) |