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 *** *********************** GALAXITE 2, t-spinel, f-oxospinelides, sf-spinel, s-spinel Mn(0.89)Al(2.11)O(4) Cubic * Fd3m Z = 8 *Fd3m 6 .9 .1907 Ref.Str.: Essene E.J., Peacor D.R. (1983) * Amer. Mineral., 68, 449-455 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.181 alpha = 90.0 b = 8.181 beta = 90.0 c = 8.181 gamma = 90.0 Unit cell volume (cub. angs.) = 547.54 Molar volume ( cub.cm/mol.) = 41.23 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 Mn = 0.89, Al = 0.11 2 0.5 0.5 0.5 0.0 Al = 1.00 3 0.2655 0.2655 0.2655 0.0 O = 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 0.2655 0.2655 0.2655 4 1 0.875 0.875 0.875 5 3 0.7345 0.7345 0.7345 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 0.2345 0.0155 0.5155 13 3 0.4845 0.9845 0.7655 14 3 0.5155 0.2345 0.0155 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 0.7655 0.4845 0.9845 19 3 0.0155 0.5155 0.2345 20 3 0.9845 0.7655 0.4845 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 0.2345 0.5155 0.0155 25 3 0.9845 0.4845 0.7655 26 3 0.0155 0.2345 0.5155 27 3 0.7655 0.9845 0.4845 28 3 0.5155 0.0155 0.2345 29 3 0.4845 0.7655 0.9845 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 0.4845 0.4845 0.2655 40 3 0.0155 0.7345 0.0155 41 3 0.7655 0.2655 0.7655 42 3 0.5155 0.7345 0.5155 43 3 0.7655 0.7655 0.2655 44 3 0.7345 0.0155 0.0155 45 3 0.2655 0.7655 0.7655 46 3 0.7345 0.5155 0.5155 47 3 0.9845 0.9845 0.2655 48 3 0.0155 0.0155 0.7345 49 3 0.4845 0.2655 0.4845 50 3 0.2345 0.7345 0.2345 51 3 0.9845 0.2655 0.9845 52 3 0.2345 0.2345 0.7345 53 3 0.2655 0.4845 0.4845 54 3 0.7345 0.2345 0.2345 55 3 0.2655 0.9845 0.9845 56 3 0.5155 0.5155 0.7345 X-ray density (g/cm cub.) = 4.12 MU (1/cm) = 422.931 Mass attenuation coefficient (cm**2/g) = 102.683 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn ,Al 2.724 4 1.9909 3 1.9909 3 1.9909 3 1.9909 3 2 Al 2.316 6 1.9268 3 1.9268 3 1.9268 3 1.9268 3 1.9268 3 1.9268 3 3 O 3.264 12 2.9035 3 2.9035 3 2.9035 3 2.9035 3 2.9035 3 2.9035 3 2.5338 3 3.2511 3 2.5338 3 3.2511 3 2.5338 3 3.2511 3 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 1 1 1 9.386 18.772 0.106 72.28 8 6.6 8.3 2 2 2 0 15.445 30.89 0.173 25.4 12 154.5 2426.0 3 3 1 0 17.322 34.644 0.193 19.81 24 0.0 0.0 4 1 1 3 18.196 36.393 0.203 17.79 24 164.1 3833.1 5 2 2 2 19.036 38.072 0.212 16.11 8 18.2 14.2 6 4 0 0 22.124 44.249 0.244 11.52 6 157.3 570.2 7 3 3 1 24.231 48.461 0.266 9.37 24 53.1 211.7 8 2 2 4 27.469 54.937 0.299 7.05 24 111.8 704.9 9 1 1 5 29.291 58.582 0.318 6.09 24 182.6 1626.1 10 3 3 3 29.291 58.582 0.318 6.09 8 91.4 135.9 11 4 4 0 32.183 64.365 0.346 4.94 12 325.8 2100.6 12 5 3 0 33.299 66.598 0.356 4.6 24 0.0 0.0 13 5 3 1 33.85 67.701 0.362 4.44 48 0.6 0.0 14 4 4 2 34.397 68.795 0.367 4.29 24 15.2 8.0 15 6 2 0 36.547 73.095 0.387 3.81 24 87.3 232.4 16 3 3 5 38.128 76.255 0.401 3.52 24 122.4 422.3 17 2 2 6 38.649 77.299 0.405 3.44 24 33.4 30.7 18 4 4 4 40.717 81.434 0.423 3.17 8 88.9 66.9 19 7 1 0 41.742 83.484 0.432 3.06 24 0.0 0.0 20 1 1 7 42.253 84.505 0.436 3.02 24 31.6 24.2 21 5 5 1 42.253 84.505 0.436 3.02 24 30.5 22.5 22 6 4 2 44.796 89.593 0.457 2.84 48 94.1 402.3 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 2 0 15.445 30.89 2.89242 2426.0 63.3 63.6 5.6 2 1 1 3 18.196 36.393 2.46666 3833.1 100.0 100.0 5.7 3 4 0 0 22.124 44.249 2.04525 570.2 14.9 14.8 5.7 4 3 3 1 24.231 48.461 1.87685 211.7 5.5 5.5 5.7 5 2 2 4 27.469 54.937 1.66994 704.9 18.4 18.0 5.8 6 1 1 5 29.291 58.582 1.57443 1762.0 46.0 44.8 5.8 7 4 4 0 32.183 64.365 1.44621 2100.6 54.8 52.9 5.9 8 6 2 0 36.547 73.095 1.29353 232.4 6.1 5.8 6.0 9 3 3 5 38.128 76.255 1.24759 422.3 11.0 10.4 6.0 10 4 4 4 40.717 81.434 1.18083 66.9 1.7 1.6 6.1 11 1 1 7 42.253 84.505 1.14557 46.6 1.2 1.1 6.1 12 6 4 2 44.796 89.593 1.09323 402.3 10.5 9.6 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) |