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 *** *********************** INSIZWAITE 3, syn, g-froodite PtBi(2) Cubic P a3 Z = 4 Pa3 30 .8 .1907 Ref.Str.: Wallbaum H.J. (1943) * Z. Metallkunde, 35, 200-201 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 6.683 alpha = 90.0 b = 6.683 beta = 90.0 c = 6.683 gamma = 90.0 Unit cell volume (cub. angs.) = 298.48 Molar volume ( cub.cm/mol.) = 44.95 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 0.0 Pt = 1.00 2 0.38 0.38 0.38 0.0 Bi = 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 0.38 0.38 0.38 3 2 0.62 0.62 0.62 4 1 0.5 0.0 0.5 5 2 0.12 0.62 0.88 6 2 0.88 0.38 0.12 7 1 0.5 0.5 0.0 8 2 0.12 0.88 0.38 9 2 0.88 0.12 0.62 10 1 0.0 0.5 0.5 11 2 0.38 0.12 0.88 12 2 0.62 0.88 0.12 X-ray density (g/cm cub.) = 13.64 MU (1/cm) = 4480.036 Mass attenuation coefficient (cm**2/g) = 328.497 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Pt 3.324 6 2.7813 2 2.7813 2 2.7813 2 2.7813 2 2.7813 2 2.7813 2 2 Bi 5.112 13 2.7781 2 4.0936 2 4.0936 2 3.7663 2 3.7663 2 3.7663 2 3.7663 2 4.0936 2 4.0936 2 3.7663 2 3.7663 2 4.0936 2 4.0936 2 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 13.404 26.808 0.13 34.37 8 52.1 836.7 2 2 0 0 15.526 31.053 0.15 25.12 6 318.9 17199.5 3 2 1 0 17.414 34.828 0.167 19.59 12 398.4 41864.7 4 1 1 2 19.138 38.276 0.183 15.92 24 285.0 34840.5 5 2 2 0 22.244 44.489 0.212 11.38 12 263.5 10642.7 6 2 2 1 23.673 47.347 0.224 9.88 24 23.4 145.8 7 1 1 3 26.353 52.706 0.248 7.74 24 429.6 38496.3 8 2 2 2 27.622 55.244 0.259 6.96 8 246.6 3798.8 9 2 3 0 28.853 57.707 0.27 6.3 12 398.0 13446.0 10 1 2 3 30.052 60.104 0.28 5.75 24 222.7 7686.1 11 3 2 1 30.052 60.104 0.28 5.75 24 286.7 12735.7 12 4 0 0 32.369 64.737 0.299 4.88 6 261.5 2249.5 13 2 2 3 33.493 66.987 0.308 4.54 24 23.9 69.8 14 4 1 0 33.493 66.987 0.308 4.54 12 42.4 110.2 15 1 1 4 34.6 69.199 0.317 4.24 24 30.6 107.2 16 3 3 1 35.69 71.38 0.326 3.99 24 83.5 748.2 17 2 4 0 36.767 73.533 0.335 3.76 12 194.8 1923.8 18 4 2 0 36.767 73.533 0.335 3.76 12 194.8 1923.8 19 1 2 4 37.831 75.662 0.343 3.57 24 2.6 0.6 20 4 2 1 37.831 75.662 0.343 3.57 24 322.1 9984.6 21 3 3 2 38.886 77.772 0.351 3.41 24 230.8 4885.9 22 2 2 4 40.972 81.943 0.367 3.14 24 214.3 3887.9 23 4 3 0 42.006 84.012 0.374 3.04 12 44.2 80.1 24 1 3 4 43.036 86.072 0.381 2.95 24 32.0 81.3 25 4 3 1 43.036 86.072 0.381 2.95 24 24.8 49.1 26 1 1 5 44.064 88.128 0.389 2.88 24 404.1 12671.2 27 3 3 3 44.064 88.128 0.389 2.88 8 327.1 2767.8 28 2 3 4 46.117 92.234 0.403 2.78 24 338.0 8560.8 29 2 5 0 46.117 92.234 0.403 2.78 12 259.9 2530.7 30 4 3 2 46.117 92.234 0.403 2.78 24 2.7 0.5 31 1 2 5 47.145 94.29 0.41 2.75 24 242.9 4374.4 32 5 2 1 47.145 94.29 0.41 2.75 24 188.0 2618.5 33 4 4 0 49.211 98.422 0.423 2.73 12 628.1 14492.7 34 2 2 5 50.251 100.503 0.43 2.73 24 15.8 18.4 35 4 4 1 50.251 100.503 0.43 2.73 24 36.6 98.4 36 3 3 4 51.299 102.598 0.436 2.75 24 26.2 51.1 37 1 3 5 52.355 104.711 0.443 2.78 24 38.4 110.6 38 5 3 1 52.355 104.711 0.443 2.78 24 38.4 110.6 39 4 4 2 53.422 106.844 0.449 2.82 24 222.1 3748.6 40 6 0 0 53.422 106.844 0.449 2.82 6 117.4 261.7 41 6 1 0 54.501 109.002 0.455 2.87 12 280.7 3048.9 42 1 1 6 55.594 111.188 0.461 2.94 24 203.2 3269.3 43 2 3 5 55.594 111.188 0.461 2.94 24 155.0 1902.5 44 5 3 2 55.594 111.188 0.461 2.94 24 257.9 5266.3 45 2 6 0 57.831 115.663 0.473 3.11 12 186.0 1450.0 46 6 2 0 57.831 115.663 0.473 3.11 12 186.0 1450.0 47 1 2 6 58.982 117.963 0.479 3.22 24 17.2 25.6 48 4 4 3 58.982 117.963 0.479 3.22 24 38.9 131.6 49 4 5 0 58.982 117.963 0.479 3.22 12 29.9 38.9 50 6 2 1 58.982 117.963 0.479 3.22 24 52.0 235.0 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 13.404 26.808 3.85843 836.7 2.0 2.0 5.6 2 2 0 0 15.526 31.053 3.3415 17199.5 41.1 41.2 5.6 3 2 1 0 17.414 34.828 2.98873 41864.7 100.0 100.0 5.7 4 1 1 2 19.138 38.276 2.72832 34840.5 83.2 83.0 5.7 5 2 2 0 22.244 44.489 2.3628 10642.7 25.4 25.2 5.7 6 1 1 3 26.353 52.706 2.015 38496.3 92.0 90.2 5.8 7 2 2 2 27.622 55.244 1.92922 3798.8 9.1 8.9 5.8 8 2 3 0 28.853 57.707 1.85353 13446.0 32.1 31.3 5.8 9 3 2 1 30.052 60.104 1.78611 20421.9 48.8 47.4 5.8 10 4 0 0 32.369 64.737 1.67075 2249.5 5.4 5.2 5.9 11 3 3 1 35.69 71.38 1.53319 748.2 1.8 1.7 5.9 12 2 4 0 36.767 73.533 1.49436 3847.7 9.2 8.7 6.0 13 4 2 1 37.831 75.662 1.45835 9984.6 23.8 22.5 6.0 14 3 3 2 38.886 77.772 1.42482 4885.9 11.7 11.0 6.0 15 2 2 4 40.972 81.943 1.36416 3887.9 9.3 8.7 6.1 16 1 1 5 44.064 88.128 1.28614 15439.0 36.9 33.8 6.2 17 2 3 4 46.117 92.234 1.241 11092.0 26.5 24.0 6.2 18 1 2 5 47.145 94.29 1.22014 6992.9 16.7 15.0 6.3 19 4 4 0 49.211 98.422 1.1814 14492.7 34.6 30.8 6.4 20 4 4 2 53.422 106.844 1.11383 4010.3 9.6 8.2 6.6 21 6 1 0 54.501 109.002 1.09868 3048.9 7.3 6.2 6.7 22 5 3 2 55.594 111.188 1.08413 10438.1 24.9 21.0 6.7 23 2 6 0 57.831 115.663 1.05668 2900.0 6.9 5.7 6.9 24 6 2 1 58.982 117.963 1.04371 431.0 1.0 0.8 7.0 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) |