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 4, t-stannite, syn, f-stannite, sf-proper-stannite, s-stannite (Cu,Zn,Fe)(2)(Fe,Zn,Cu)SnS(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 = 5.446 alpha = 90.0 b = 5.446 beta = 90.0 c = 10.757 gamma = 90.0 Unit cell volume (cub. angs.) = 319.04 Molar volume ( cub.cm/mol.) = 96.09 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 = 0.96, Zn = 0.03, Fe = 0.01 2 0.0 0.0 0.0 0.0 Fe = 0.78, Zn = 0.14, Cu = 0.08 3 0.0 0.0 0.5 0.0 Sn = 1.00 4 0.7553 0.7553 0.8703 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 0.7553 0.7553 0.8703 5 1 0.5 0.0 0.75 6 4 0.7553 0.2447 0.1297 7 4 0.2447 0.2447 0.8703 8 4 0.2447 0.7553 0.1297 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 0.7447 0.7447 0.3703 14 4 0.7447 0.2553 0.6297 15 4 0.2553 0.2553 0.3703 16 4 0.2553 0.7447 0.6297 X-ray density (g/cm cub.) = 4.49 MU (1/cm) = 774.654 Mass attenuation coefficient (cm**2/g) = 172.408 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Cu ,Zn ,Fe 3.36 4 2.3201 4 2.3201 4 2.3201 4 2.3201 4 2 Fe ,Zn ,Cu 3.36 4 2.3451 4 2.3451 4 2.3451 4 2.3451 4 3 Sn 3.408 4 2.411 4 2.411 4 2.411 4 2.411 4 4 S 4.368 12 3.8592 4 3.9395 4 3.7696 4 3.8518 4 3.8518 4 3.9322 4 3.8592 4 3.9395 4 3.7569 4 3.7569 4 3.7569 4 3.7569 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 9.573 19.146 0.093 69.39 2 25.3 87.6 2 1 0 1 10.608 21.216 0.103 56.11 8 40.8 735.1 3 1 1 0 13.431 26.862 0.13 34.22 4 28.6 110.1 4 1 1 2 16.599 33.198 0.16 21.74 8 254.7 11084.7 5 1 0 3 17.378 34.755 0.167 19.68 8 42.6 280.7 6 2 0 0 19.177 38.353 0.184 15.85 4 136.0 1152.1 7 0 0 4 19.427 38.854 0.186 15.4 2 136.3 562.4 8 2 0 2 21.604 43.207 0.206 12.15 8 26.4 66.5 9 2 1 1 22.12 44.24 0.21 11.52 16 40.2 292.1 10 1 1 4 23.934 47.868 0.227 9.64 8 21.7 35.6 11 2 1 3 26.357 52.714 0.248 7.74 16 34.3 143.5 12 1 0 5 26.553 53.106 0.25 7.61 8 37.7 85.0 13 2 2 0 27.681 55.362 0.26 6.92 4 284.9 2207.9 14 2 0 4 27.87 55.74 0.261 6.82 8 283.8 4315.3 15 2 2 2 29.565 59.131 0.276 5.97 8 11.1 5.8 16 0 0 6 29.928 59.856 0.279 5.8 2 28.6 9.4 17 3 0 1 29.98 59.959 0.279 5.78 8 39.9 72.5 18 3 1 0 31.291 62.581 0.29 5.26 8 14.3 8.5 19 3 1 2 33.049 66.098 0.305 4.67 16 207.7 3166.8 20 1 1 6 33.389 66.779 0.308 4.57 8 206.7 1533.7 21 3 0 3 33.523 67.046 0.309 4.53 8 28.2 28.3 22 2 1 5 33.692 67.385 0.31 4.48 16 32.4 74.0 23 2 2 4 34.844 69.687 0.319 4.18 8 121.9 488.8 24 2 0 6 36.679 73.359 0.334 3.78 8 0.1 0.0 25 3 2 1 36.726 73.452 0.334 3.77 16 28.2 47.1 26 1 0 7 37.214 74.427 0.338 3.68 8 30.6 27.1 27 3 1 4 38.079 76.158 0.345 3.53 16 14.1 11.1 28 3 2 3 39.984 79.969 0.359 3.26 16 36.9 69.6 29 3 0 5 40.143 80.286 0.36 3.24 8 27.8 19.6 30 4 0 0 41.069 82.138 0.367 3.13 4 243.5 729.4 31 0 0 8 41.699 83.397 0.372 3.07 2 240.7 349.0 32 4 0 2 42.663 85.327 0.379 2.98 8 6.2 0.9 33 2 2 6 42.976 85.953 0.381 2.96 8 21.2 10.5 34 4 1 1 43.021 86.043 0.381 2.95 16 30.1 42.2 35 2 1 7 43.491 86.981 0.385 2.92 16 32.7 49.0 36 3 3 0 44.172 88.345 0.39 2.87 4 10.2 1.2 37 1 1 8 44.797 89.594 0.394 2.84 8 17.6 6.9 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 10.608 21.216 4.85879 735.1 6.6 6.7 5.6 2 1 1 2 16.599 33.198 3.1311 11084.7 100.0 100.0 5.6 3 1 0 3 17.378 34.755 2.99483 280.7 2.5 2.5 5.7 4 2 0 0 19.177 38.353 2.723 1152.1 10.4 10.3 5.7 5 0 0 4 19.427 38.854 2.68925 562.4 5.1 5.0 5.7 6 2 1 1 22.12 44.24 2.3754 292.1 2.6 2.6 5.7 7 2 1 3 26.357 52.714 2.01471 143.5 1.3 1.3 5.8 8 2 2 0 27.681 55.362 1.92545 2207.9 19.9 19.4 5.8 9 2 0 4 27.87 55.74 1.91341 4315.3 38.9 38.0 5.8 10 3 1 2 33.049 66.098 1.64015 3166.8 28.6 27.4 5.9 11 1 1 6 33.389 66.779 1.62532 1533.7 13.8 13.3 5.9 12 2 2 4 34.844 69.687 1.56555 488.8 4.4 4.2 5.9 13 4 0 0 41.069 82.138 1.3615 729.4 6.6 6.1 6.1 14 0 0 8 41.699 83.397 1.34462 349.0 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) |