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 *** *********************** BUSECKITE 1, t-wurtzite 2H [Fe(0.46)Zn(0.32)Mn(0.16)Mg(0.04)]S Hexagonal P 6(3)mc Z = 2 P6(3)mc 5 .7 .12 Ref.Str.: Ma C., Beckett J.R., Rossman G.R. (2012) * Amer. Mineral., 97, 1226-1233 R: from the Zaklodzie meteorite. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 3.8357 alpha = 90.0 b = 3.8357 beta = 90.0 c = 6.3002 gamma = 120.0 Unit cell volume (cub. angs.) = 80.27 Molar volume ( cub.cm/mol.) = 24.18 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.3333 0.6667 0.0 0.0 Fe = 0.46, Zn = 0.32, Mn = 0.2 2 0.3333 0.6667 0.375 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.3333 0.6667 0.0 2 2 0.3333 0.6667 0.375 3 1 0.6667 0.3333 0.5 4 2 0.6667 0.3333 0.875 X-ray density (g/cm cub.) = 3.71 MU (1/cm) = 236.428 Mass attenuation coefficient (cm**2/g) = 63.759 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Fe ,Zn ,Mn 3.276 4 2.3626 2 2.3504 2 2.3504 2 2.3504 2 2 S 4.368 12 3.8357 2 3.8357 2 3.8357 2 3.8357 2 3.8357 2 3.8357 2 3.8506 2 3.8506 2 3.8507 2 3.8507 2 3.8506 2 3.8506 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 0 0 15.621 31.241 0.151 24.79 6 35.1 2842.2 2 0 0 2 16.496 32.992 0.159 22.04 2 50.8 1766.6 3 1 0 1 17.722 35.445 0.17 18.85 12 27.4 2635.3 4 1 0 2 23.037 46.073 0.219 10.51 12 22.8 1016.3 5 1 1 0 27.8 55.6 0.261 6.86 6 57.0 2070.9 6 1 0 3 30.258 60.516 0.282 5.66 12 44.3 2065.9 7 2 0 0 32.584 65.168 0.301 4.81 6 26.5 314.5 8 1 1 2 33.095 66.189 0.305 4.66 12 39.0 1320.6 9 2 0 1 33.844 67.688 0.311 4.44 12 21.7 390.8 10 0 0 4 34.603 69.207 0.317 4.24 2 16.3 35.1 11 2 0 2 37.503 75.007 0.34 3.63 12 18.3 227.2 12 1 0 4 38.939 77.879 0.351 3.4 12 7.6 36.2 13 2 0 3 43.362 86.724 0.384 2.93 12 37.1 750.2 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 0 15.621 31.241 3.32181 2842.2 100.0 100.0 5.6 2 0 0 2 16.496 32.992 3.1501 1766.6 62.2 62.1 5.6 3 1 0 1 17.722 35.445 2.9384 2635.3 92.7 92.4 5.7 4 1 0 2 23.037 46.073 2.28575 1016.3 35.8 35.2 5.7 5 1 1 0 27.8 55.6 1.91785 2070.9 72.9 71.0 5.8 6 1 0 3 30.258 60.516 1.77508 2065.9 72.7 70.3 5.8 7 2 0 0 32.584 65.168 1.66091 314.5 11.1 10.6 5.9 8 1 1 2 33.095 66.189 1.63813 1320.6 46.5 44.5 5.9 9 2 0 1 33.844 67.688 1.60603 390.8 13.8 13.1 5.9 10 0 0 4 34.603 69.207 1.57505 35.1 1.2 1.2 5.9 11 2 0 2 37.503 75.007 1.4692 227.2 8.0 7.5 6.0 12 1 0 4 38.939 77.879 1.42317 36.2 1.3 1.2 6.0 13 2 0 3 43.362 86.724 1.30272 750.2 26.4 24.2 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) |