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 *** *********************** STANNOMICROLITE 1, t-pyrochlore, syn, f-microlite Sn(2)Ta(2)O(7) Cubic F d3m Z = 8 Fd3m 19 .4 .1907 Ref.Str.: Gasperin M. (1955) * Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 240, 2340-2342 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.48 alpha = 90.0 b = 10.48 beta = 90.0 c = 10.48 gamma = 90.0 Unit cell volume (cub. angs.) = 1151.02 Molar volume ( cub.cm/mol.) = 86.66 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.625 0.625 0.625 0.0 Sn = 1.00 2 0.125 0.125 0.125 0.0 Ta = 1.00 3 0.5 0.5 0.5 0.0 O = 1.00 4 0.2 0.0 0.0 0.0 O = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.625 0.625 0.625 2 2 0.125 0.125 0.125 3 3 0.5 0.5 0.5 4 4 0.2 0.0 0.0 5 1 0.125 0.375 0.875 6 1 0.375 0.875 0.125 7 1 0.875 0.125 0.375 8 2 0.625 0.875 0.375 9 2 0.875 0.375 0.625 10 2 0.375 0.625 0.875 11 3 0.25 0.25 0.75 12 3 0.5 0.0 0.0 13 3 0.75 0.25 0.25 14 4 0.75 0.95 0.25 15 4 0.8 0.5 0.5 16 4 0.25 0.55 0.75 17 1 0.125 0.875 0.375 18 1 0.875 0.375 0.125 19 1 0.375 0.125 0.875 20 2 0.625 0.375 0.875 21 2 0.375 0.875 0.625 22 2 0.875 0.625 0.375 23 3 0.25 0.75 0.25 24 3 0.0 0.5 0.0 25 4 0.75 0.45 0.75 26 4 0.3 0.0 0.5 27 4 0.75 0.55 0.25 28 1 0.375 0.375 0.625 29 1 0.375 0.625 0.375 30 1 0.125 0.625 0.125 31 1 0.875 0.625 0.875 32 1 0.125 0.125 0.625 33 1 0.625 0.375 0.375 34 1 0.625 0.125 0.125 35 1 0.625 0.875 0.875 36 1 0.875 0.875 0.625 37 2 0.875 0.875 0.125 38 2 0.875 0.125 0.875 39 2 0.625 0.125 0.625 40 2 0.375 0.125 0.375 41 2 0.625 0.625 0.125 42 2 0.125 0.875 0.875 43 2 0.125 0.625 0.625 44 2 0.125 0.375 0.375 45 2 0.375 0.375 0.125 46 3 0.75 0.75 0.75 47 3 0.0 0.0 0.5 48 4 0.8 0.0 0.0 49 4 0.75 0.05 0.75 50 4 0.7 0.0 0.5 51 4 0.25 0.05 0.25 52 4 0.7 0.5 0.0 53 4 0.25 0.95 0.75 54 4 0.2 0.5 0.5 55 4 0.25 0.45 0.25 56 4 0.3 0.5 0.0 57 4 0.0 0.2 0.0 58 4 0.95 0.75 0.25 59 4 0.5 0.8 0.5 60 4 0.55 0.25 0.75 61 4 0.45 0.75 0.75 62 4 0.0 0.3 0.5 63 4 0.55 0.75 0.25 64 4 0.0 0.8 0.0 65 4 0.05 0.75 0.75 66 4 0.0 0.7 0.5 67 4 0.05 0.25 0.25 68 4 0.5 0.7 0.0 69 4 0.95 0.25 0.75 70 4 0.5 0.2 0.5 71 4 0.45 0.25 0.25 72 4 0.5 0.3 0.0 73 4 0.0 0.0 0.2 74 4 0.25 0.75 0.95 75 4 0.5 0.5 0.8 76 4 0.75 0.25 0.55 77 4 0.75 0.75 0.45 78 4 0.0 0.5 0.3 79 4 0.25 0.75 0.55 80 4 0.0 0.0 0.8 81 4 0.75 0.75 0.05 82 4 0.0 0.5 0.7 83 4 0.25 0.25 0.05 84 4 0.5 0.0 0.7 85 4 0.75 0.25 0.95 86 4 0.5 0.5 0.2 87 4 0.25 0.25 0.45 88 4 0.5 0.0 0.3 X-ray density (g/cm cub.) = 8.21 MU (1/cm) = 1409.105 Mass attenuation coefficient (cm**2/g) = 171.71 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sn 2.856 8 2.269 3 2.6069 4 2.6069 4 2.269 3 2.6069 4 2.6069 4 2.6069 4 2.6069 4 2 Ta 2.424 6 2.0125 4 2.0125 4 2.0125 4 2.0125 4 2.0125 4 2.0125 4 3 O 3.264 6 3.144 4 3.144 4 3.144 4 3.144 4 3.144 4 3.144 4 4 O 3.264 9 3.144 3 2.7228 4 2.7228 4 2.9642 4 2.9642 4 2.9642 4 2.7228 4 2.9642 4 2.7228 4 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 7.314 14.628 0.083 120.45 8 167.7 2046.0 2 2 2 0 11.999 23.997 0.135 43.4 12 12.8 6.4 3 1 1 3 14.109 28.219 0.158 30.82 24 174.9 1708.3 4 2 2 2 14.751 29.501 0.165 28.03 8 1600.6 43367.1 5 4 0 0 17.098 34.195 0.191 20.39 6 1285.1 15247.0 6 3 3 1 18.686 37.372 0.208 16.78 24 7.1 1.6 7 4 2 0 19.19 38.38 0.213 15.82 24 0.0 0.0 8 2 2 4 21.105 42.21 0.234 12.8 24 66.2 101.7 9 1 1 5 22.452 44.905 0.248 11.14 24 54.8 60.6 10 3 3 3 22.452 44.905 0.248 11.14 8 278.6 522.2 11 4 4 0 24.568 49.137 0.27 9.08 12 1543.6 19601.5 12 5 3 1 25.775 51.549 0.282 8.14 48 113.0 376.7 13 4 4 2 26.168 52.335 0.286 7.87 24 0.0 0.0 14 6 2 0 27.701 55.402 0.302 6.91 24 65.9 54.3 15 3 3 5 28.814 57.629 0.313 6.32 24 159.7 292.0 16 2 2 6 29.179 58.359 0.316 6.14 24 1300.6 18829.5 17 4 4 4 30.612 61.224 0.331 5.52 8 1188.9 4710.5 18 1 1 7 31.661 63.322 0.341 5.12 24 77.4 55.7 19 5 5 1 31.661 63.322 0.341 5.12 24 180.5 302.3 20 6 4 0 32.007 64.013 0.344 5.0 24 0.0 0.0 21 6 4 2 33.369 66.737 0.357 4.58 48 17.1 4.9 22 5 5 3 34.372 68.744 0.366 4.3 24 76.2 45.3 23 7 3 1 34.372 68.744 0.366 4.3 48 171.5 458.5 24 8 0 0 36.015 72.03 0.382 3.92 6 1271.5 2867.4 25 3 3 7 36.986 73.973 0.391 3.72 24 4.6 0.1 26 4 4 6 37.308 74.616 0.393 3.66 24 0.0 0.0 27 8 2 0 37.308 74.616 0.393 3.66 24 0.0 0.0 28 2 2 8 38.585 77.169 0.405 3.45 24 93.0 54.1 29 6 6 0 38.585 77.169 0.405 3.45 12 102.3 32.7 30 5 5 5 39.533 79.067 0.413 3.32 8 13.0 0.3 31 7 5 1 39.533 79.067 0.413 3.32 48 96.5 111.8 32 6 6 2 39.848 79.697 0.416 3.27 24 1127.6 7541.0 33 8 4 0 41.102 82.204 0.427 3.13 24 1064.9 6423.7 34 1 1 9 42.038 84.075 0.435 3.03 24 107.1 63.1 35 7 5 3 42.038 84.075 0.435 3.03 48 58.4 37.5 36 8 4 2 42.349 84.697 0.437 3.01 48 0.0 0.0 37 6 6 4 43.59 87.18 0.448 2.91 24 61.6 20.0 38 9 3 1 44.519 89.038 0.455 2.85 48 111.7 128.9 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 7.314 14.628 6.05063 2046.0 4.7 4.8 5.6 2 1 1 3 14.109 28.219 3.15984 1708.3 3.9 3.9 5.6 3 2 2 2 14.751 29.501 3.02532 43367.1 100.0 100.0 5.6 4 4 0 0 17.098 34.195 2.62 15247.0 35.2 35.0 5.7 5 3 3 3 22.452 44.905 2.01688 582.8 1.3 1.3 5.7 6 4 4 0 24.568 49.137 1.85262 19601.5 45.2 44.3 5.7 7 2 2 6 29.179 58.359 1.57992 18829.5 43.4 42.1 5.8 8 4 4 4 30.612 61.224 1.51266 4710.5 10.9 10.5 5.8 9 7 3 1 34.372 68.744 1.36438 503.8 1.2 1.1 5.9 10 8 0 0 36.015 72.03 1.31 2867.4 6.6 6.3 5.9 11 6 6 2 39.848 79.697 1.20214 7541.0 17.4 16.2 6.0 12 8 4 0 41.102 82.204 1.1717 6423.7 14.8 13.7 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) |