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 1, t-spinel, f-oxospinelides, sf-spinel, s-spinel MnAl(2)O(4) Cubic F d3m Z = 8 Fd3m 14 .4 .1994 Ref.Str.: T.Yamanaka, Y.Takeuchi, M.Tokonami (1984) * Acta Cryst., B40, 96-102 Ref.Composition & Lattice: Povarennih A.S. (1966) * Kristallohim. klassif. miner. vidov Reserv: The coordinates of atoms are from spinel. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.29 alpha = 90.0 b = 8.29 beta = 90.0 c = 8.29 gamma = 90.0 Unit cell volume (cub. angs.) = 569.72 Molar volume ( cub.cm/mol.) = 42.9 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 0.56 Mn = 1.00 2 0.625 0.625 0.625 0.61 Al = 1.00 3 0.3873 0.3873 0.3873 0.85 O = 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 0.625 0.625 0.625 3 3 0.3873 0.3873 0.3873 4 1 0.75 0.75 0.25 5 1 0.0 0.5 0.5 6 1 0.25 0.75 0.75 7 2 0.125 0.375 0.875 8 2 0.375 0.875 0.125 9 2 0.875 0.125 0.375 10 3 0.3627 0.1373 0.6373 11 3 0.6127 0.1127 0.8873 12 3 0.6373 0.3627 0.1373 13 1 0.75 0.25 0.75 14 1 0.5 0.0 0.5 15 2 0.125 0.875 0.375 16 2 0.875 0.375 0.125 17 2 0.375 0.125 0.875 18 3 0.3627 0.6373 0.1373 19 3 0.1127 0.6127 0.8873 20 3 0.1373 0.3627 0.6373 21 1 0.25 0.25 0.25 22 1 0.5 0.5 0.0 23 2 0.375 0.375 0.625 24 2 0.375 0.625 0.375 25 2 0.125 0.625 0.125 26 2 0.875 0.625 0.875 27 2 0.125 0.125 0.625 28 2 0.625 0.375 0.375 29 2 0.625 0.125 0.125 30 2 0.625 0.875 0.875 31 2 0.875 0.875 0.625 32 3 0.6127 0.6127 0.3873 33 3 0.1373 0.8627 0.1373 34 3 0.8873 0.3873 0.8873 35 3 0.6373 0.8627 0.6373 36 3 0.8873 0.8873 0.3873 37 3 0.8627 0.1373 0.1373 38 3 0.3873 0.8873 0.8873 39 3 0.8627 0.6373 0.6373 40 3 0.1127 0.1127 0.3873 41 3 0.3873 0.6127 0.6127 42 3 0.6127 0.3873 0.6127 43 3 0.1373 0.6373 0.3627 44 3 0.8627 0.3627 0.3627 45 3 0.1127 0.3873 0.1127 46 3 0.8873 0.6127 0.1127 47 3 0.3627 0.3627 0.8627 48 3 0.6373 0.6373 0.8627 49 3 0.6127 0.8873 0.1127 50 3 0.3873 0.1127 0.1127 51 3 0.3627 0.8627 0.3627 52 3 0.6373 0.1373 0.3627 53 3 0.8627 0.8627 0.8627 54 3 0.1373 0.1373 0.8627 55 3 0.8873 0.1127 0.6127 56 3 0.1127 0.8873 0.6127 X-ray density (g/cm cub.) = 4.03 MU (1/cm) = 443.251 Mass attenuation coefficient (cm**2/g) = 109.984 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn 2.724 4 1.9714 3 1.9714 3 1.9714 3 1.9714 3 2 Al 2.316 6 1.9758 3 1.9758 3 1.9758 3 1.9758 3 1.9758 3 1.9758 3 3 O 3.264 12 2.938 3 2.938 3 2.938 3 2.938 3 2.6426 3 3.2194 3 2.6426 3 2.6426 3 2.938 3 3.2194 3 3.2194 3 2.938 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 9.261 18.523 0.104 74.29 8 6.9 8.6 2 2 2 0 15.237 30.474 0.171 26.15 12 158.3 2421.6 3 1 1 3 17.949 35.898 0.2 18.33 24 168.7 3855.5 4 2 2 2 18.776 37.552 0.209 16.6 8 20.2 16.7 5 4 0 0 21.818 43.637 0.241 11.88 6 147.9 480.2 6 3 3 1 23.892 47.784 0.263 9.68 24 50.2 180.3 7 4 2 0 24.553 49.106 0.27 9.1 24 0.0 0.0 8 2 2 4 27.078 54.155 0.295 7.28 24 115.0 711.9 9 1 1 5 28.869 57.738 0.313 6.29 24 170.1 1346.2 10 3 3 3 28.869 57.738 0.313 6.29 8 100.9 157.9 11 4 4 0 31.71 63.42 0.341 5.11 12 315.2 1875.8 12 5 3 1 33.347 66.693 0.357 4.58 48 6.2 2.6 13 4 4 2 33.883 67.766 0.362 4.43 24 8.9 2.6 14 6 2 0 35.991 71.982 0.381 3.92 24 89.9 234.2 15 3 3 5 37.539 75.077 0.396 3.62 24 115.2 355.7 16 2 2 6 38.049 76.099 0.4 3.54 24 26.7 18.7 17 4 4 4 40.072 80.143 0.418 3.25 8 79.0 50.0 18 1 1 7 41.572 83.144 0.431 3.08 24 27.6 17.3 19 5 5 1 41.572 83.144 0.431 3.08 24 16.9 6.5 20 6 4 0 42.07 84.139 0.435 3.03 24 0.0 0.0 21 6 4 2 44.053 88.106 0.451 2.88 48 86.0 315.0 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 15.237 30.474 2.93096 2421.6 62.8 63.1 5.6 2 1 1 3 17.949 35.898 2.49953 3855.5 100.0 100.0 5.7 3 4 0 0 21.818 43.637 2.0725 480.2 12.5 12.4 5.7 4 3 3 1 23.892 47.784 1.90186 180.3 4.7 4.6 5.7 5 2 2 4 27.078 54.155 1.69219 711.9 18.5 18.1 5.8 6 1 1 5 28.869 57.738 1.59541 1504.1 39.0 38.0 5.8 7 4 4 0 31.71 63.42 1.46548 1875.8 48.7 47.0 5.9 8 6 2 0 35.991 71.982 1.31076 234.2 6.1 5.8 5.9 9 3 3 5 37.539 75.077 1.26421 355.7 9.2 8.7 6.0 10 4 4 4 40.072 80.143 1.19656 50.0 1.3 1.2 6.0 11 6 4 2 44.053 88.106 1.1078 315.0 8.2 7.5 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) |