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 *** *********************** LINNAEITE 1, t-spinel, f-sulfospinelides, s-linnaeite Co(3)S(4) Cubic * Fd3m Z = 8 *Fd3m 26 .3 .1990 Ref.Str.: F.S. Grimaldi (1964) * Amer. Mineral., 49, 543-555 Ref.Composition & Lattice: Lundqvist, Dick (1947) * Ark. Kemi, Min. och. Geol.., 24 A, N 21, 1-12 Reserv: The coordinates of atoms are from greigite. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 9.457 alpha = 90.0 b = 9.457 beta = 90.0 c = 9.457 gamma = 90.0 Unit cell volume (cub. angs.) = 845.79 Molar volume ( cub.cm/mol.) = 63.68 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.125 0.125 0.125 0.0 Co = 1.00 2 0.5 0.5 0.5 0.0 Co = 1.00 3 0.2505 0.2505 0.2505 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.125 0.125 0.125 2 2 0.5 0.5 0.5 3 3 0.2505 0.2505 0.2505 4 1 0.875 0.875 0.875 5 3 0.7495 0.7495 0.7495 6 1 0.375 0.875 0.375 7 1 0.625 0.125 0.625 8 1 0.375 0.375 0.875 9 2 0.0 0.25 0.75 10 2 0.25 0.75 0.0 11 2 0.75 0.0 0.25 12 3 0.2495 0.0005 0.5005 13 3 0.4995 0.9995 0.7505 14 3 0.5005 0.2495 0.0005 15 1 0.625 0.625 0.125 16 1 0.875 0.375 0.375 17 1 0.125 0.625 0.625 18 3 0.7505 0.4995 0.9995 19 3 0.0005 0.5005 0.2495 20 3 0.9995 0.7505 0.4995 21 2 0.0 0.75 0.25 22 2 0.75 0.25 0.0 23 2 0.25 0.0 0.75 24 3 0.2495 0.5005 0.0005 25 3 0.9995 0.4995 0.7505 26 3 0.0005 0.2495 0.5005 27 3 0.7505 0.9995 0.4995 28 3 0.5005 0.0005 0.2495 29 3 0.4995 0.7505 0.9995 30 2 0.25 0.25 0.5 31 2 0.25 0.5 0.25 32 2 0.0 0.5 0.0 33 2 0.75 0.5 0.75 34 2 0.0 0.0 0.5 35 2 0.5 0.25 0.25 36 2 0.5 0.0 0.0 37 2 0.5 0.75 0.75 38 2 0.75 0.75 0.5 39 3 0.4995 0.4995 0.2505 40 3 0.0005 0.7495 0.0005 41 3 0.7505 0.2505 0.7505 42 3 0.5005 0.7495 0.5005 43 3 0.7505 0.7505 0.2505 44 3 0.7495 0.0005 0.0005 45 3 0.2505 0.7505 0.7505 46 3 0.7495 0.5005 0.5005 47 3 0.9995 0.9995 0.2505 48 3 0.0005 0.0005 0.7495 49 3 0.4995 0.2505 0.4995 50 3 0.2495 0.7495 0.2495 51 3 0.9995 0.2505 0.9995 52 3 0.2495 0.2495 0.7495 53 3 0.2505 0.4995 0.4995 54 3 0.7495 0.2495 0.2495 55 3 0.2505 0.9995 0.9995 56 3 0.5005 0.5005 0.7495 X-ray density (g/cm cub.) = 4.79 MU (1/cm) = 443.455 Mass attenuation coefficient (cm**2/g) = 92.588 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Co 3.12 4 2.0557 3 2.0557 3 2.0557 3 2.0557 3 2 Co 3.12 6 2.3595 3 2.3595 3 2.3595 3 2.3595 3 2.3595 3 2.3595 3 3 S 4.368 12 3.3436 3 3.3436 3 3.3436 3 3.3436 3 3.3436 3 3.3436 3 3.3302 3 3.3569 3 3.3302 3 3.3569 3 3.3302 3 3.3569 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 1 1 9.429 18.857 0.092 71.6 8 60.9 296.8 2 2 2 0 15.517 31.033 0.15 25.15 12 183.3 1416.9 3 3 1 0 17.403 34.806 0.167 19.61 24 0.0 0.0 4 1 1 3 18.282 36.564 0.175 17.61 24 299.4 5293.7 5 2 2 2 19.126 38.251 0.183 15.94 8 23.5 9.8 6 4 0 0 22.23 44.46 0.211 11.39 6 511.4 2499.1 7 3 3 1 24.348 48.695 0.23 9.27 24 44.3 61.2 8 2 2 4 27.604 55.208 0.259 6.97 24 152.5 544.0 9 1 1 5 29.437 58.873 0.275 6.02 24 256.6 1330.9 10 3 3 3 29.437 58.873 0.275 6.02 8 249.0 417.7 11 4 4 0 32.346 64.693 0.299 4.89 12 715.5 4200.2 12 5 3 0 33.47 66.94 0.308 4.55 24 0.0 0.0 13 5 3 1 34.025 68.05 0.313 4.39 48 41.9 51.7 14 4 4 2 34.575 69.151 0.317 4.25 24 0.0 0.0 15 6 2 0 36.74 73.48 0.334 3.77 24 132.9 223.5 16 3 3 5 38.332 76.664 0.347 3.49 24 221.4 574.0 17 2 2 6 38.857 77.715 0.351 3.41 24 9.7 1.1 18 4 4 4 40.941 81.882 0.366 3.14 8 387.3 527.5 19 7 1 0 41.974 83.948 0.374 3.04 24 0.0 0.0 20 1 1 7 42.489 84.978 0.378 3.0 24 33.9 11.5 21 5 5 1 42.489 84.978 0.378 3.0 24 40.4 16.4 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 9.429 18.857 5.46 296.8 5.6 5.7 5.6 2 2 2 0 15.517 31.033 3.34355 1416.9 26.8 26.9 5.6 3 1 1 3 18.282 36.564 2.85139 5293.7 100.0 100.0 5.7 4 4 0 0 22.23 44.46 2.36425 2499.1 47.2 46.8 5.7 5 3 3 1 24.348 48.695 2.16958 61.2 1.2 1.1 5.7 6 2 2 4 27.604 55.208 1.9304 544.0 10.3 10.1 5.8 7 1 1 5 29.437 58.873 1.82 1748.6 33.0 32.2 5.8 8 4 4 0 32.346 64.693 1.67178 4200.2 79.3 76.6 5.9 9 6 2 0 36.74 73.48 1.49528 223.5 4.2 4.0 6.0 10 3 3 5 38.332 76.664 1.44218 574.0 10.8 10.2 6.0 11 4 4 4 40.941 81.882 1.365 527.5 10.0 9.3 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) |