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 *** *********************** STISTAITE 1 SnSb Cubic F m3m Z = 4 Fm3m 8 .6 .1992 Ref.Str.: Wyckoff R.W.G. (1963) * Crystal Structures, 1, 85-90 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.13 alpha = 90.0 b = 6.13 beta = 90.0 c = 6.13 gamma = 90.0 Unit cell volume (cub. angs.) = 230.35 Molar volume ( cub.cm/mol.) = 34.69 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 Sn = 1.00 2 0.0 0.0 0.5 0.0 Sb = 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 0.0 0.0 0.5 3 1 0.5 0.0 0.5 4 1 0.5 0.5 0.0 5 1 0.0 0.5 0.5 6 2 0.5 0.0 0.0 7 2 0.5 0.5 0.5 8 2 0.0 0.5 0.0 X-ray density (g/cm cub.) = 6.93 MU (1/cm) = 2648.421 Mass attenuation coefficient (cm**2/g) = 382.115 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sn 3.72 6 3.065 2 3.065 2 3.065 2 3.065 2 3.065 2 3.065 2 2 Sb 4.992 12 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 2 4.3346 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 14.639 29.279 0.141 28.49 8 3.1 4.1 2 2 0 0 16.968 33.935 0.163 20.73 6 342.9 27557.0 3 2 2 0 24.375 48.75 0.231 9.25 12 310.9 20211.5 4 1 1 3 28.943 57.887 0.271 6.26 24 2.6 1.9 5 2 2 2 30.362 60.724 0.283 5.62 8 288.2 7041.4 6 4 0 0 35.708 71.417 0.326 3.98 6 270.4 3293.6 7 3 3 1 39.496 78.993 0.356 3.32 24 2.9 1.2 8 4 2 0 40.734 81.469 0.365 3.17 24 255.7 9368.5 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 2 0 0 16.968 33.935 3.065 27557.0 100.0 100.0 5.7 2 2 2 0 24.375 48.75 2.16728 20211.5 73.3 72.2 5.7 3 2 2 2 30.362 60.724 1.76958 7041.4 25.6 24.8 5.8 4 4 0 0 35.708 71.417 1.5325 3293.6 12.0 11.4 5.9 5 4 2 0 40.734 81.469 1.37071 9368.5 34.0 31.7 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) |