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 *** *********************** ARGENTITE 1, t-cuprite, at 250'C, f-acanthite Ag(2)S Cubic P n3 Z = 2 Pn3 5 .6 .1992 Ref.Str.: Wyckoff R.W.G. (1963) * Crystal Structures, 1, 331-332 Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 4.88 alpha = 90.0 b = 4.88 beta = 90.0 c = 4.88 gamma = 90.0 Unit cell volume (cub. angs.) = 116.21 Molar volume ( cub.cm/mol.) = 35.0 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.25 0.25 0.0 Ag = 1.00 2 0.0 0.0 0.0 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.25 0.25 0.25 2 2 0.0 0.0 0.0 3 1 0.75 0.75 0.25 4 1 0.75 0.25 0.75 5 1 0.25 0.75 0.75 6 2 0.5 0.5 0.5 X-ray density (g/cm cub.) = 7.08 MU (1/cm) = 1425.167 Mass attenuation coefficient (cm**2/g) = 201.323 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Ag 1.356 0 2 S 0.348 0 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 0 12.899 25.797 0.145 37.28 12 26.2 2268.2 2 1 1 1 15.866 31.733 0.177 23.97 8 158.0 35463.7 3 2 0 0 18.402 36.805 0.205 17.35 6 128.8 12786.6 4 1 1 2 22.745 45.491 0.251 10.82 24 20.5 808.5 5 2 2 0 26.516 53.032 0.29 7.63 12 151.0 15456.8 6 2 2 1 28.264 56.528 0.307 6.6 24 0.0 0.0 7 1 3 0 29.944 59.887 0.324 5.8 12 18.1 168.6 8 3 1 0 29.944 59.887 0.324 5.8 12 18.1 168.6 9 1 1 3 31.568 63.136 0.34 5.16 24 121.6 13556.9 10 2 2 2 33.147 66.294 0.355 4.64 8 101.4 2828.3 11 1 2 3 36.2 72.399 0.383 3.88 24 16.7 193.0 12 3 2 1 36.2 72.399 0.383 3.88 24 16.7 193.0 13 4 0 0 39.152 78.304 0.41 3.37 6 125.6 2359.1 14 2 2 3 40.603 81.205 0.422 3.18 24 0.0 0.0 15 1 1 4 42.042 84.084 0.435 3.03 24 15.8 134.7 16 3 3 0 42.042 84.084 0.435 3.03 12 15.8 67.4 17 3 3 1 43.474 86.948 0.447 2.92 24 103.8 5589.6 18 2 4 0 44.902 89.805 0.458 2.83 12 86.8 1895.3 19 4 2 0 44.902 89.805 0.458 2.83 12 86.8 1895.3 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 1 1 0 12.899 25.797 3.45068 2268.2 6.4 6.4 5.6 2 1 1 1 15.866 31.733 2.81747 35463.7 100.0 100.0 5.6 3 2 0 0 18.402 36.805 2.44 12786.6 36.1 35.9 5.7 4 1 1 2 22.745 45.491 1.99225 808.5 2.3 2.2 5.7 5 2 2 0 26.516 53.032 1.72534 15456.8 43.6 42.6 5.8 6 1 1 3 31.568 63.136 1.47138 13556.9 38.2 36.8 5.9 7 2 2 2 33.147 66.294 1.40873 2828.3 8.0 7.6 5.9 8 1 2 3 36.2 72.399 1.30423 386.1 1.1 1.0 5.9 9 4 0 0 39.152 78.304 1.22 2359.1 6.7 6.2 6.0 10 3 3 1 43.474 86.948 1.11955 5589.6 15.8 14.5 6.1 11 2 4 0 44.902 89.805 1.0912 3790.5 10.7 9.7 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) |