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 *** *********************** ANTIMONY 2, f-arsenic, g-arsenic Sb Rhombohedral * R3(-)m Z = 2 *R3(-)m 8 .6 .1992 Ref.Str.: Wyckoff R.W.G. (1963) * Crystal Structures, 1, 30-32 R: ATOMIC. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.5066 alpha = 57.11 b = 4.5066 beta = 57.11 c = 4.5066 gamma = 57.11 Unit cell volume (cub. angs.) = 60.41 Molar volume ( cub.cm/mol.) = 18.19 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.233 0.233 0.233 0.0 Sb = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.233 0.233 0.233 2 1 0.767 0.767 0.767 X-ray density (g/cm cub.) = 6.69 MU (1/cm) = 1806.626 Mass attenuation coefficient (cm**2/g) = 270.0 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sb 4.992 18 4.5066 1 4.3083 1 4.3083 1 4.5066 1 4.3083 1 4.5066 1 4.5066 1 4.3083 1 4.5066 1 4.3083 1 4.3083 1 4.5066 1 3.3623 1 3.3623 1 2.9025 1 3.3623 1 2.9025 1 2.9025 1 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 11.828 23.656 0.133 44.72 2 28.3 1963.0 2 1 0 0 12.56 25.12 0.141 39.43 6 9.5 581.0 3 1 1 0 14.334 28.668 0.161 29.8 6 84.3 34860.9 4 2 1 1 20.03 40.059 0.222 14.39 6 71.8 12192.2 5 1 -1 0 20.951 41.903 0.232 13.01 6 77.8 12941.4 6 1 2 2 23.525 47.051 0.259 10.02 6 38.1 2388.9 7 2 2 2 24.201 48.403 0.266 9.4 2 59.4 1814.5 8 2 1 0 24.341 48.681 0.268 9.28 12 23.3 1652.6 9 1 -1 1 24.74 49.481 0.272 8.94 6 7.8 90.1 10 2 0 0 25.78 51.56 0.282 8.14 6 70.7 6687.9 11 2 2 0 29.68 59.359 0.321 5.91 6 62.2 3766.0 12 3 2 2 31.394 62.789 0.338 5.22 6 45.4 1768.4 13 3 1 1 32.405 64.81 0.348 4.87 6 33.5 899.6 14 3 2 1 32.955 65.91 0.353 4.7 12 52.4 4238.3 15 2 -1 0 33.399 66.798 0.357 4.57 12 6.9 72.0 16 2 -1 1 34.266 68.533 0.365 4.33 12 62.7 5601.8 17 2 3 3 35.752 71.505 0.379 3.97 6 41.3 1115.7 18 3 1 0 37.645 75.29 0.396 3.6 12 55.9 3703.5 19 3 3 3 37.946 75.892 0.399 3.55 2 50.2 490.2 20 -2 1 1 38.268 76.536 0.402 3.5 6 60.9 2137.4 21 1 3 3 39.186 78.372 0.41 3.36 6 41.0 927.8 22 3 2 0 40.109 80.218 0.418 3.24 12 30.3 979.8 23 -1 2 2 40.721 81.442 0.423 3.17 6 18.6 180.7 24 3 0 0 40.721 81.442 0.423 3.17 6 18.6 180.7 25 4 2 2 43.237 86.474 0.445 2.94 6 37.7 685.6 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 11.828 23.656 3.75796 1963.0 5.6 5.7 5.6 2 1 0 0 12.56 25.12 3.54218 581.0 1.7 1.7 5.6 3 1 1 0 14.334 28.668 3.11131 34860.9 100.0 100.0 5.6 4 2 1 1 20.03 40.059 2.24894 12192.2 35.0 34.6 5.7 5 1 -1 0 20.951 41.903 2.15417 12941.4 37.1 36.7 5.7 6 1 2 2 23.525 47.051 1.92977 2388.9 6.9 6.7 5.7 7 2 2 2 24.201 48.403 1.87898 1814.5 5.2 5.1 5.7 8 2 1 0 24.341 48.681 1.86889 1652.6 4.7 4.6 5.7 9 2 0 0 25.78 51.56 1.77109 6687.9 19.2 18.7 5.8 10 2 2 0 29.68 59.359 1.55565 3766.0 10.8 10.4 5.8 11 3 2 2 31.394 62.789 1.47868 1768.4 5.1 4.9 5.9 12 3 1 1 32.405 64.81 1.43736 899.6 2.6 2.5 5.9 13 3 2 1 32.955 65.91 1.416 4238.3 12.2 11.6 5.9 14 2 -1 1 34.266 68.533 1.36807 5601.8 16.1 15.3 5.9 15 2 3 3 35.752 71.505 1.31834 1115.7 3.2 3.0 5.9 16 3 1 0 37.645 75.29 1.26117 3703.5 10.6 10.0 6.0 17 3 3 3 37.946 75.892 1.25265 490.2 1.4 1.3 6.0 18 -2 1 1 38.268 76.536 1.24371 2137.4 6.1 5.8 6.0 19 1 3 3 39.186 78.372 1.2191 927.8 2.7 2.5 6.0 20 3 2 0 40.109 80.218 1.19564 979.8 2.8 2.6 6.0 21 -1 2 2 40.721 81.442 1.18073 361.4 1.0 1.0 6.1 22 4 2 2 43.237 86.474 1.12447 685.6 2.0 1.8 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) |