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 3, t-spinel, f-oxospinelides, sf-spinel, s-spinel (Mn,Mg,Fe)(Al,Fe,Mn)(2)O(4) Cubic * Fd3m Z = 8 *Fd3m 6 .9 .1907 Ref.Str.: Lucchesi S., Russo U., Della Giusta A. (1997) * Eur. J. Mineral., 9, 31-42 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 8.2226 alpha = 90.0 b = 8.2226 beta = 90.0 c = 8.2226 gamma = 90.0 Unit cell volume (cub. angs.) = 555.94 Molar volume ( cub.cm/mol.) = 41.86 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 = 0.66, Fe = 0.22, Mg = 0.12 2 0.5 0.5 0.5 0.0 Al = 0.88, Mn = 0.08, Fe = 0.04 3 0.2652 0.2652 0.2652 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 0.2652 0.2652 0.2652 4 1 0.875 0.875 0.875 5 3 0.7348 0.7348 0.7348 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 0.2348 0.0152 0.5152 13 3 0.4848 0.9848 0.7652 14 3 0.5152 0.2348 0.0152 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 0.7652 0.4848 0.9848 19 3 0.0152 0.5152 0.2348 20 3 0.9848 0.7652 0.4848 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 0.2348 0.5152 0.0152 25 3 0.9848 0.4848 0.7652 26 3 0.0152 0.2348 0.5152 27 3 0.7652 0.9848 0.4848 28 3 0.5152 0.0152 0.2348 29 3 0.4848 0.7652 0.9848 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 0.4848 0.4848 0.2652 40 3 0.0152 0.7348 0.0152 41 3 0.7652 0.2652 0.7652 42 3 0.5152 0.7348 0.5152 43 3 0.7652 0.7652 0.2652 44 3 0.7348 0.0152 0.0152 45 3 0.2652 0.7652 0.7652 46 3 0.7348 0.5152 0.5152 47 3 0.9848 0.9848 0.2652 48 3 0.0152 0.0152 0.7348 49 3 0.4848 0.2652 0.4848 50 3 0.2348 0.7348 0.2348 51 3 0.9848 0.2652 0.9848 52 3 0.2348 0.2348 0.7348 53 3 0.2652 0.4848 0.4848 54 3 0.7348 0.2348 0.2348 55 3 0.2652 0.9848 0.9848 56 3 0.5152 0.5152 0.7348 X-ray density (g/cm cub.) = 4.18 MU (1/cm) = 497.507 Mass attenuation coefficient (cm**2/g) = 118.948 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Mn ,Fe ,Mg 2.724 4 1.9967 3 1.9967 3 1.9967 3 1.9967 3 2 Al ,Mn ,Fe 2.724 6 1.9387 3 1.9387 3 1.9387 3 1.9387 3 1.9387 3 1.9387 3 3 O 3.264 12 2.9179 3 2.9179 3 2.9179 3 2.9179 3 2.9179 3 2.9179 3 2.5536 3 3.2606 3 2.5536 3 3.2606 3 2.5536 3 3.2606 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 9.338 18.676 0.105 73.04 8 15.1 42.9 2 2 2 0 15.365 30.729 0.172 25.69 12 153.9 2363.4 3 3 1 0 17.232 34.463 0.192 20.04 24 0.0 0.0 4 1 1 3 18.101 36.202 0.202 18.0 24 171.6 4116.1 5 2 2 2 18.936 37.872 0.211 16.3 8 4.3 0.8 6 4 0 0 22.007 44.013 0.243 11.65 6 172.1 670.4 7 3 3 1 24.1 48.201 0.265 9.49 24 46.2 156.9 8 2 2 4 27.318 54.636 0.298 7.13 24 111.9 693.2 9 1 1 5 29.128 58.257 0.316 6.17 24 187.8 1689.0 10 3 3 3 29.128 58.257 0.316 6.17 8 97.7 152.3 11 4 4 0 32.0 64.001 0.344 5.01 12 337.4 2212.5 12 5 3 0 33.109 66.218 0.355 4.65 24 0.0 0.0 13 5 3 1 33.656 67.312 0.36 4.49 48 5.7 2.3 14 4 4 2 34.199 68.398 0.365 4.35 24 14.8 7.4 15 6 2 0 36.333 72.666 0.385 3.85 24 87.4 228.5 16 3 3 5 37.9 75.801 0.399 3.56 24 126.7 443.6 17 2 2 6 38.418 76.836 0.403 3.48 24 41.4 46.2 18 4 4 4 40.468 80.936 0.421 3.2 8 99.1 81.3 19 7 1 0 41.484 82.967 0.43 3.09 24 0.0 0.0 20 1 1 7 41.99 83.979 0.434 3.04 24 26.9 17.0 21 5 5 1 41.99 83.979 0.434 3.04 24 34.7 28.4 22 6 4 2 44.509 89.019 0.455 2.85 48 93.4 386.8 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 1 1 1 9.338 18.676 4.74732 42.9 1.0 1.1 5.6 2 2 2 0 15.365 30.729 2.90713 2363.4 57.4 57.7 5.6 3 1 1 3 18.101 36.202 2.47921 4116.1 100.0 100.0 5.7 4 4 0 0 22.007 44.013 2.05565 670.4 16.3 16.2 5.7 5 3 3 1 24.1 48.201 1.88639 156.9 3.8 3.8 5.7 6 2 2 4 27.318 54.636 1.67843 693.2 16.8 16.5 5.8 7 1 1 5 29.128 58.257 1.58244 1841.4 44.7 43.6 5.8 8 4 4 0 32.0 64.001 1.45356 2212.5 53.8 51.9 5.9 9 6 2 0 36.333 72.666 1.30011 228.5 5.6 5.3 6.0 10 3 3 5 37.9 75.801 1.25393 443.6 10.8 10.2 6.0 11 2 2 6 38.418 76.836 1.2396 46.2 1.1 1.1 6.0 12 4 4 4 40.468 80.936 1.18683 81.3 2.0 1.8 6.1 13 5 5 1 41.99 83.979 1.15139 45.4 1.1 1.0 6.1 14 6 4 2 44.509 89.019 1.09879 386.8 9.4 8.6 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) |