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 1, f-arsenic, g-arsenic Sb Hexagonal R 3(-)m Z = 6 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 = 4.3083 alpha = 90.0 b = 4.3083 beta = 90.0 c = 11.2743 gamma = 120.0 Unit cell volume (cub. angs.) = 181.23 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 0.0 0.0 0.233 0.0 Sb = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.0 0.233 2 1 0.6667 0.3333 0.5663 3 1 0.3333 0.6667 0.8997 4 1 0.0 0.0 0.767 5 1 0.3333 0.6667 0.4337 6 1 0.6667 0.3333 0.1003 X-ray density (g/cm cub.) = 6.69 MU (1/cm) = 1806.592 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 4.3083 1 4.3083 1 4.3083 1 4.3083 1 4.3083 1 4.3083 1 4.5067 1 4.5067 1 4.5067 1 4.5068 1 4.5068 1 4.5068 1 3.3624 1 3.3624 1 3.3624 1 2.9024 1 2.9024 1 2.9024 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 0 0 3 11.827 23.655 0.133 44.72 2 84.9 1963.8 2 1 0 1 12.56 25.12 0.141 39.43 6 28.4 581.4 3 1 0 -2 14.334 28.668 0.161 29.8 6 253.0 34859.7 4 1 0 4 20.029 40.059 0.222 14.39 6 215.4 12191.3 5 1 1 0 20.952 41.903 0.232 13.01 6 233.3 12940.6 6 1 0 -5 23.525 47.05 0.259 10.02 6 114.2 2389.7 7 0 0 6 24.2 48.401 0.266 9.4 2 178.0 1814.3 8 1 1 3 24.34 48.681 0.268 9.28 12 69.8 1653.6 9 2 0 -1 24.741 49.481 0.272 8.94 6 23.5 90.1 10 2 0 2 25.78 51.56 0.282 8.14 6 212.1 6687.3 11 2 0 -4 29.679 59.359 0.321 5.91 6 186.7 3765.8 12 1 0 7 31.393 62.787 0.338 5.22 6 136.2 1769.1 13 2 0 5 32.404 64.809 0.348 4.87 6 100.6 900.0 14 1 1 6 32.954 65.909 0.353 4.7 12 157.1 4237.3 15 2 1 1 33.399 66.798 0.357 4.57 12 20.8 72.1 16 2 1 -2 34.267 68.533 0.365 4.33 12 188.2 5601.5 17 1 0 -8 35.751 71.502 0.379 3.97 6 124.0 1115.4 18 2 1 4 37.645 75.29 0.396 3.6 12 167.7 3702.8 19 0 0 9 37.944 75.889 0.399 3.55 2 150.5 490.3 20 3 0 0 38.268 76.537 0.402 3.5 6 182.8 2137.3 21 2 0 -7 39.185 78.371 0.41 3.36 6 122.9 928.0 22 2 1 -5 40.109 80.217 0.418 3.24 12 91.0 979.9 23 3 0 -3 40.721 81.443 0.423 3.17 6 55.9 180.7 24 3 0 3 40.721 81.443 0.423 3.17 6 55.9 180.8 25 2 0 8 43.236 86.471 0.445 2.94 6 113.0 685.3 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 0 0 3 11.827 23.655 3.7581 1963.8 5.6 5.7 5.6 2 1 0 1 12.56 25.12 3.54217 581.4 1.7 1.7 5.6 3 1 0 2 14.334 28.668 3.11132 34859.7 100.0 100.0 5.6 4 1 0 4 20.029 40.059 2.24899 12191.3 35.0 34.6 5.7 5 1 1 0 20.952 41.903 2.15415 12940.6 37.1 36.7 5.7 6 1 0 5 23.525 47.05 1.92982 2389.7 6.9 6.7 5.7 7 0 0 6 24.2 48.401 1.87905 1814.3 5.2 5.1 5.7 8 1 1 3 24.34 48.681 1.8689 1653.6 4.7 4.7 5.7 9 2 0 2 25.78 51.56 1.77108 6687.3 19.2 18.7 5.8 10 2 0 4 29.679 59.359 1.55566 3765.8 10.8 10.4 5.8 11 1 0 7 31.393 62.787 1.47872 1769.1 5.1 4.9 5.9 12 2 0 5 32.404 64.809 1.43738 900.0 2.6 2.5 5.9 13 1 1 6 32.954 65.909 1.41603 4237.3 12.2 11.6 5.9 14 2 1 2 34.267 68.533 1.36806 5601.5 16.1 15.3 5.9 15 1 0 8 35.751 71.502 1.31838 1115.4 3.2 3.0 5.9 16 2 1 4 37.645 75.29 1.26117 3702.8 10.6 10.0 6.0 17 0 0 9 37.944 75.889 1.2527 490.3 1.4 1.3 6.0 18 3 0 0 38.268 76.537 1.2437 2137.3 6.1 5.8 6.0 19 2 0 7 39.185 78.371 1.21913 928.0 2.7 2.5 6.0 20 2 1 5 40.109 80.217 1.19564 979.9 2.8 2.6 6.0 21 3 0 3 40.721 81.443 1.18072 361.5 1.0 1.0 6.1 22 2 0 8 43.236 86.471 1.12449 685.3 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) |