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 *** *********************** LAURITE 2, t-pyrite, g-laurite RuS(2) Cubic P a3 Z = 4 R =0.021 NR =573 1 .3 .1993 Ref.Str.: Lutz H.D., Muller B., Schmidt Th., Stingl Th. (1993) * Acta Cryst., C 46, 2003-2005 Reserv: In original - pyrite[3]. D.T.N. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.6106 alpha = 90.0 b = 5.6106 beta = 90.0 c = 5.6106 gamma = 90.0 Unit cell volume (cub. angs.) = 176.62 Molar volume ( cub.cm/mol.) = 26.6 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.0 0.0 0.0 Ru = 1.00 2 0.3883 0.3883 0.3883 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.0 2 2 0.3883 0.3883 0.3883 3 2 0.6117 0.6117 0.6117 4 1 0.5 0.0 0.5 5 2 0.1117 0.6117 0.8883 6 2 0.8883 0.3883 0.1117 7 1 0.5 0.5 0.0 8 2 0.1117 0.8883 0.3883 9 2 0.8883 0.1117 0.6117 10 1 0.0 0.5 0.5 11 2 0.3883 0.1117 0.8883 12 2 0.6117 0.8883 0.1117 X-ray density (g/cm cub.) = 6.21 MU (1/cm) = 1361.398 Mass attenuation coefficient (cm**2/g) = 219.21 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ru 2.928 6 2.352 2 2.352 2 2.352 2 2.352 2 2.352 2 2.352 2 2 S 4.368 13 2.171 2 3.4423 2 3.4423 2 3.2059 2 3.2059 2 3.2059 2 3.2059 2 3.4423 2 3.4423 2 3.2059 2 3.2059 2 3.4423 2 3.4423 2 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 1 16.029 32.059 0.154 23.45 8 106.5 6817.7 2 2 0 0 18.593 37.186 0.178 16.96 6 160.9 8449.8 3 2 1 0 20.884 41.769 0.199 13.11 12 56.7 1619.9 4 1 1 2 22.986 45.972 0.218 10.56 24 41.4 1392.1 5 2 2 0 26.803 53.605 0.252 7.45 12 131.2 4932.8 6 2 2 1 28.572 57.145 0.267 6.44 24 8.1 32.7 7 1 1 3 31.921 63.842 0.296 5.03 24 141.9 7802.1 8 2 2 2 33.522 67.044 0.309 4.53 8 118.2 1622.5 9 2 3 0 35.086 70.172 0.321 4.12 12 59.3 557.3 10 1 2 3 36.62 73.24 0.333 3.79 24 22.3 144.5 11 3 2 1 36.62 73.24 0.333 3.79 24 44.4 576.3 12 4 0 0 39.62 79.24 0.356 3.3 6 46.9 139.5 13 2 2 3 41.096 82.191 0.367 3.13 24 9.2 20.5 14 4 1 0 41.096 82.191 0.367 3.13 12 13.9 23.1 15 1 1 4 42.561 85.122 0.378 2.99 24 10.4 25.1 16 3 3 1 44.02 88.04 0.388 2.88 24 92.0 1878.7 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 1 1 16.029 32.059 3.23928 6817.7 80.7 81.1 5.6 2 2 0 0 18.593 37.186 2.8053 8449.8 100.0 100.0 5.7 3 2 1 0 20.884 41.769 2.50914 1619.9 19.2 19.1 5.7 4 1 1 2 22.986 45.972 2.29052 1392.1 16.5 16.3 5.7 5 2 2 0 26.803 53.605 1.98365 4932.8 58.4 57.3 5.8 6 1 1 3 31.921 63.842 1.69166 7802.1 92.3 89.3 5.9 7 2 2 2 33.522 67.044 1.61964 1622.5 19.2 18.5 5.9 8 2 3 0 35.086 70.172 1.5561 557.3 6.6 6.3 5.9 9 3 2 1 36.62 73.24 1.4995 720.8 8.5 8.1 6.0 10 4 0 0 39.62 79.24 1.40265 139.5 1.7 1.6 6.0 11 3 3 1 44.02 88.04 1.28716 1878.7 22.2 20.4 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) |