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 *** *********************** STANNITE 3, t-stannite, syn, f-stannite, sf-proper-stannite, s-stannite Cu(2)FeSnS(4) Tetragonal I 4(-)2m Z = 2 I4(-)2m 10 .5 .11 Ref.Str.: Bonazzi P, Bindi L, Bernardini G P, Menchetti S. (2003) * Canad. Mineral., 41, 639-647 R: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 5.4495 alpha = 90.0 b = 5.4495 beta = 90.0 c = 10.726 gamma = 90.0 Unit cell volume (cub. angs.) = 318.53 Molar volume ( cub.cm/mol.) = 95.93 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.5 0.25 0.0 Cu = 1.00 2 0.0 0.0 0.0 0.0 Fe = 1.00 3 0.0 0.0 0.5 0.0 Sn = 1.00 4 0.7558 0.7558 0.8701 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.5 0.25 2 2 0.0 0.0 0.0 3 3 0.0 0.0 0.5 4 4 0.7558 0.7558 0.8701 5 1 0.5 0.0 0.75 6 4 0.7558 0.2442 0.1299 7 4 0.2442 0.2442 0.8701 8 4 0.2442 0.7558 0.1299 9 1 0.0 0.5 0.75 10 1 0.5 0.0 0.25 11 2 0.5 0.5 0.5 12 3 0.5 0.5 0.0 13 4 0.7442 0.7442 0.3701 14 4 0.7442 0.2558 0.6299 15 4 0.2558 0.2558 0.3701 16 4 0.2558 0.7442 0.6299 X-ray density (g/cm cub.) = 4.48 MU (1/cm) = 782.042 Mass attenuation coefficient (cm**2/g) = 174.545 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu 3.36 4 2.3182 4 2.3182 4 2.3182 4 2.3182 4 2 Fe 3.144 4 2.3414 4 2.3414 4 2.3414 4 2.3414 4 3 Sn 3.408 4 2.414 4 2.414 4 2.414 4 2.414 4 4 S 4.368 12 3.8531 4 3.9416 4 3.7638 4 3.8544 4 3.8544 4 3.9429 4 3.8531 4 3.9416 4 3.7508 4 3.7508 4 3.7508 4 3.7508 4 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 0 0 2 9.601 19.202 0.093 68.98 2 23.2 73.1 2 1 0 1 10.609 21.218 0.103 56.1 8 42.4 795.5 3 1 1 0 13.422 26.844 0.13 34.27 4 26.6 95.3 4 1 1 2 16.608 33.217 0.16 21.71 8 253.1 10964.9 5 1 0 3 17.41 34.821 0.167 19.6 8 44.8 310.4 6 2 0 0 19.164 38.328 0.184 15.87 4 134.4 1129.5 7 0 0 4 19.485 38.971 0.186 15.3 2 134.7 546.7 8 2 0 2 21.605 43.211 0.206 12.15 8 24.2 56.0 9 2 1 1 22.109 44.219 0.21 11.53 16 42.4 327.5 10 1 1 4 23.978 47.956 0.227 9.6 8 19.6 29.2 11 2 1 3 26.371 52.741 0.248 7.73 16 36.2 160.1 12 1 0 5 26.622 53.244 0.25 7.57 8 39.9 94.9 13 2 2 0 27.662 55.323 0.26 6.93 4 283.2 2193.0 14 2 0 4 27.905 55.81 0.262 6.8 8 282.0 4261.2 15 2 2 2 29.558 59.115 0.276 5.97 8 8.4 3.3 16 3 0 1 29.962 59.923 0.279 5.79 8 42.6 82.7 17 0 0 6 30.023 60.046 0.28 5.76 2 26.4 7.9 18 3 1 0 31.268 62.536 0.29 5.27 8 11.7 5.7 19 3 1 2 33.037 66.074 0.305 4.67 16 206.2 3133.9 20 1 1 6 33.475 66.95 0.308 4.54 8 204.9 1505.0 21 3 0 3 33.526 67.052 0.309 4.53 8 29.7 31.6 22 2 1 5 33.744 67.488 0.311 4.47 16 34.4 83.3 23 2 2 4 34.866 69.732 0.32 4.18 8 120.4 477.8 24 3 2 1 36.702 73.403 0.334 3.78 16 29.8 53.1 25 2 0 6 36.757 73.514 0.335 3.77 8 3.2 0.3 26 1 0 7 37.328 74.656 0.339 3.66 8 32.5 30.4 27 3 1 4 38.096 76.193 0.345 3.53 16 12.2 8.3 28 3 2 3 39.979 79.958 0.359 3.26 16 39.5 80.0 29 3 0 5 40.183 80.366 0.361 3.23 8 29.5 22.2 30 4 0 0 41.037 82.074 0.367 3.13 4 242.0 723.3 31 0 0 8 41.846 83.693 0.373 3.05 2 238.7 342.8 32 4 0 2 42.641 85.281 0.379 2.98 8 3.4 0.3 33 4 1 1 42.99 85.98 0.381 2.95 16 32.2 48.2 34 2 2 6 43.043 86.087 0.382 2.95 8 18.9 8.3 35 2 1 7 43.593 87.187 0.385 2.91 16 34.9 56.0 36 3 3 0 44.137 88.273 0.389 2.88 4 7.7 0.7 37 1 1 8 44.94 89.88 0.395 2.83 8 16.8 6.3 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 0 1 10.609 21.218 4.85841 795.5 7.3 7.3 5.6 2 1 1 2 16.608 33.217 3.12936 10964.9 100.0 100.0 5.6 3 1 0 3 17.41 34.821 2.98938 310.4 2.8 2.8 5.7 4 2 0 0 19.164 38.328 2.72475 1129.5 10.3 10.3 5.7 5 0 0 4 19.485 38.971 2.6815 546.7 5.0 5.0 5.7 6 2 1 1 22.109 44.219 2.37652 327.5 3.0 3.0 5.7 7 2 1 3 26.371 52.741 2.01376 160.1 1.5 1.4 5.8 8 2 2 0 27.662 55.323 1.92669 2193.0 20.0 19.5 5.8 9 2 0 4 27.905 55.81 1.91121 4261.2 38.9 37.9 5.8 10 3 1 2 33.037 66.074 1.64066 3133.9 28.6 27.5 5.9 11 1 1 6 33.475 66.95 1.62165 1505.0 13.7 13.2 5.9 12 2 2 4 34.866 69.732 1.56468 477.8 4.4 4.2 5.9 13 4 0 0 41.037 82.074 1.36238 723.3 6.6 6.1 6.1 14 0 0 8 41.846 83.693 1.34075 342.8 3.1 2.9 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) |