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 *** *********************** FREIBERGITE 5, t-tennantite-tetrahedrite, Ag, f-fahlores, sf-proper-fahlores, s-fahlores Cu(4.42)Fe(1.41)Zn(0.62)Ag(6.07)Sb(4))S(12.42) Cubic I 4(-)3m Z = 2 R =0.03 NR =440 29 .5 .1903 Ref.Str.: Rozhdestvenskaya I.V., Zayakina N.V., Samusikov V.P. (1993) * Mineral. Zh., v15, 2, 9-17 Reserv: N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 10.492 alpha = 90.0 b = 10.492 beta = 90.0 c = 10.492 gamma = 90.0 Unit cell volume (cub. angs.) = 1154.98 Molar volume ( cub.cm/mol.) = 347.84 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.25 0.5 0.0 1.36 Cu = 0.68, Zn = 0.23, Fe = 0.15 2 0.1919 0.0 0.0 2.16 Cu = 0.39, Ag = 0.61 3 0.27 0.27 0.27 0.88 Sb = 0.99, As = 0.01 4 0.1202 0.1202 0.3654 0.9 S = 1.00 5 0.0 0.0 0.0 0.9 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.25 0.5 0.0 2 2 0.1919 0.0 0.0 3 3 0.27 0.27 0.27 4 4 0.1202 0.1202 0.3654 5 5 0.0 0.0 0.0 6 1 0.25 0.0 0.5 7 2 0.3081 0.5 0.5 8 3 0.23 0.23 0.77 9 4 0.3798 0.3798 0.8654 10 5 0.5 0.5 0.5 11 1 0.5 0.75 0.0 12 1 0.75 0.5 0.0 13 1 0.5 0.25 0.0 14 2 0.0 0.8081 0.0 15 2 0.8081 0.0 0.0 16 2 0.0 0.1919 0.0 17 3 0.27 0.73 0.73 18 3 0.73 0.73 0.27 19 3 0.73 0.27 0.73 20 4 0.1202 0.8798 0.6346 21 4 0.8798 0.8798 0.3654 22 4 0.8798 0.1202 0.6346 23 1 0.0 0.75 0.5 24 1 0.75 0.0 0.5 25 1 0.0 0.25 0.5 26 2 0.5 0.6919 0.5 27 2 0.6919 0.5 0.5 28 2 0.5 0.3081 0.5 29 3 0.23 0.77 0.23 30 3 0.77 0.77 0.77 31 3 0.77 0.23 0.23 32 4 0.3798 0.6202 0.1346 33 4 0.6202 0.6202 0.8654 34 4 0.6202 0.3798 0.1346 35 1 0.5 0.0 0.25 36 2 0.0 0.0 0.1919 37 4 0.1202 0.3654 0.1202 38 4 0.3654 0.1202 0.1202 39 1 0.0 0.5 0.25 40 2 0.5 0.5 0.3081 41 4 0.3798 0.8654 0.3798 42 4 0.8654 0.3798 0.3798 43 1 0.0 0.5 0.75 44 1 0.5 0.0 0.75 45 2 0.0 0.0 0.8081 46 4 0.8798 0.6346 0.1202 47 4 0.6346 0.1202 0.8798 48 4 0.8798 0.3654 0.8798 49 4 0.3654 0.8798 0.8798 50 4 0.1202 0.6346 0.8798 51 4 0.6346 0.8798 0.1202 52 2 0.5 0.5 0.6919 53 4 0.6202 0.1346 0.3798 54 4 0.1346 0.3798 0.6202 55 4 0.6202 0.8654 0.6202 56 4 0.8654 0.6202 0.6202 57 4 0.3798 0.1346 0.6202 58 4 0.1346 0.6202 0.3798 X-ray density (g/cm cub.) = 5.3 MU (1/cm) = 851.223 Mass attenuation coefficient (cm**2/g) = 160.49 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 2.3323 4 2.3323 4 2.3323 4 2.3323 4 2 Cu ,Ag 3.54 3 2.0134 5 2.5485 4 2.5485 4 3 Sb ,As 3.264 3 2.4377 4 2.4377 4 2.4377 4 4 S 4.368 10 4.2283 5 3.7867 4 3.567 4 3.7867 4 3.6383 4 3.6383 4 3.8195 4 3.8195 4 3.8195 4 3.8195 4 5 S 4.368 12 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 4.2283 4 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 5.96 11.919 0.067 182.56 12 131.0 2818.8 2 2 0 0 8.443 16.887 0.095 89.83 6 44.5 79.9 3 1 1 2 10.36 20.72 0.117 58.93 24 111.2 1311.1 4 2 2 0 11.985 23.97 0.135 43.5 12 187.5 1375.9 5 3 1 0 13.424 26.849 0.151 34.26 24 29.2 52.5 6 2 2 2 14.733 29.467 0.165 28.1 8 902.8 13738.7 7 3 2 1 15.944 31.888 0.178 23.72 48 117.1 1170.7 8 4 0 0 17.077 34.155 0.191 20.44 6 566.4 2948.5 9 1 1 4 18.148 36.297 0.202 17.89 24 183.7 1085.8 10 3 3 0 18.148 36.297 0.202 17.89 12 174.5 490.1 11 4 2 0 19.167 38.334 0.213 15.86 24 107.8 331.4 12 3 3 2 20.142 40.284 0.224 14.21 24 228.4 1334.1 13 2 2 4 21.08 42.159 0.233 12.84 24 28.3 18.4 14 4 3 1 21.984 43.968 0.243 11.68 48 198.4 1654.0 15 5 1 0 21.984 43.968 0.243 11.68 24 229.1 1102.9 16 5 2 1 23.711 47.421 0.261 9.85 48 181.5 1167.3 17 4 4 0 24.538 49.077 0.27 9.11 12 806.0 5323.4 18 3 3 4 25.346 50.692 0.278 8.46 24 194.2 573.9 19 5 3 0 25.346 50.692 0.278 8.46 24 45.3 31.2 20 4 4 2 26.136 52.271 0.286 7.89 24 154.8 340.3 21 6 0 0 26.136 52.271 0.286 7.89 6 146.4 76.1 22 1 1 6 26.908 53.817 0.294 7.38 24 321.0 1368.5 23 5 3 2 26.908 53.817 0.294 7.38 48 77.7 160.5 24 6 2 0 27.666 55.333 0.301 6.93 24 204.8 523.1 25 5 4 1 28.411 56.822 0.309 6.53 48 108.5 276.2 26 2 2 6 29.143 58.285 0.316 6.16 24 485.2 2609.6 27 6 3 1 29.863 59.726 0.323 5.83 48 147.7 458.0 28 4 4 4 30.573 61.147 0.33 5.53 8 231.5 177.8 29 5 4 3 31.274 62.548 0.337 5.26 48 115.2 251.3 30 5 5 0 31.274 62.548 0.337 5.26 12 267.5 338.9 31 7 1 0 31.274 62.548 0.337 5.26 24 50.3 24.0 32 6 4 0 31.966 63.931 0.344 5.02 24 68.1 41.9 33 3 3 6 32.649 65.299 0.35 4.79 24 158.9 217.7 34 5 5 2 32.649 65.299 0.35 4.79 24 90.1 70.0 35 7 2 1 32.649 65.299 0.35 4.79 48 28.4 13.9 36 6 4 2 33.325 66.651 0.357 4.59 48 89.6 132.7 37 7 3 0 33.995 67.99 0.363 4.4 24 25.0 4.9 38 6 5 1 35.315 70.631 0.375 4.07 48 201.4 594.3 39 7 3 2 35.315 70.631 0.375 4.07 48 144.7 306.7 40 8 0 0 35.968 71.935 0.381 3.93 6 555.8 545.5 41 1 1 8 36.615 73.23 0.387 3.79 24 177.7 215.7 42 5 5 4 36.615 73.23 0.387 3.79 24 190.2 246.9 43 7 4 1 36.615 73.23 0.387 3.79 48 86.5 102.1 44 4 4 6 37.258 74.516 0.393 3.67 24 37.7 9.4 45 8 2 0 37.258 74.516 0.393 3.67 24 88.5 51.7 46 6 5 3 37.897 75.794 0.399 3.56 48 222.3 633.4 47 2 2 8 38.532 77.064 0.404 3.46 24 104.5 67.9 48 6 6 0 38.532 77.064 0.404 3.46 12 208.0 134.6 49 7 4 3 39.164 78.329 0.41 3.37 48 126.2 193.0 50 7 5 0 39.164 78.329 0.41 3.37 24 11.2 0.8 51 8 3 1 39.164 78.329 0.41 3.37 48 219.9 585.7 52 6 6 2 39.794 79.587 0.415 3.28 24 292.3 504.5 53 7 5 2 40.42 80.841 0.421 3.2 48 151.1 263.1 54 8 4 0 41.045 82.09 0.426 3.13 24 126.3 89.9 55 3 3 8 41.668 83.335 0.432 3.07 24 258.5 369.0 56 9 1 0 41.668 83.335 0.432 3.07 24 51.0 14.4 57 8 4 2 42.289 84.578 0.437 3.01 48 122.7 163.3 58 5 5 6 42.909 85.817 0.442 2.96 24 222.0 262.5 59 7 6 1 42.909 85.817 0.442 2.96 48 155.2 256.5 60 9 2 1 42.909 85.817 0.442 2.96 48 17.2 3.2 61 6 6 4 43.527 87.055 0.447 2.92 24 137.6 99.3 62 7 5 4 44.146 88.291 0.452 2.88 48 116.9 141.3 63 8 5 1 44.146 88.291 0.452 2.88 48 151.0 235.9 64 9 3 0 44.146 88.291 0.452 2.88 24 85.7 38.0 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 5.96 11.919 7.41896 2818.8 20.5 20.8 5.6 2 1 1 2 10.36 20.72 4.28334 1311.1 9.5 9.6 5.6 3 2 2 0 11.985 23.97 3.70948 1375.9 10.0 10.1 5.6 4 2 2 2 14.733 29.467 3.02878 13738.7 100.0 100.0 5.6 5 3 2 1 15.944 31.888 2.80411 1170.7 8.5 8.5 5.6 6 4 0 0 17.077 34.155 2.623 2948.5 21.5 21.4 5.7 7 1 1 4 18.148 36.297 2.47299 1575.9 11.5 11.4 5.7 8 4 2 0 19.167 38.334 2.34608 331.4 2.4 2.4 5.7 9 3 3 2 20.142 40.284 2.2369 1334.1 9.7 9.6 5.7 10 4 3 1 21.984 43.968 2.05765 2756.9 20.1 19.8 5.7 11 5 2 1 23.711 47.421 1.91557 1167.3 8.5 8.3 5.7 12 4 4 0 24.538 49.077 1.85474 5323.4 38.7 38.0 5.7 13 3 3 4 25.346 50.692 1.79936 605.1 4.4 4.3 5.8 14 4 4 2 26.136 52.271 1.74867 416.4 3.0 3.0 5.8 15 1 1 6 26.908 53.817 1.70203 1529.0 11.1 10.9 5.8 16 6 2 0 27.666 55.333 1.65893 523.1 3.8 3.7 5.8 17 5 4 1 28.411 56.822 1.61895 276.2 2.0 2.0 5.8 18 2 2 6 29.143 58.285 1.58173 2609.6 19.0 18.4 5.8 19 6 3 1 29.863 59.726 1.54696 458.0 3.3 3.2 5.8 20 4 4 4 30.573 61.147 1.51439 177.8 1.3 1.2 5.8 21 5 5 0 31.274 62.548 1.48379 614.2 4.5 4.3 5.8 22 3 3 6 32.649 65.299 1.42778 301.6 2.2 2.1 5.9 23 6 5 1 35.315 70.631 1.33249 901.0 6.6 6.2 5.9 24 8 0 0 35.968 71.935 1.3115 545.5 4.0 3.8 5.9 25 5 5 4 36.615 73.23 1.29148 564.6 4.1 3.9 6.0 26 6 5 3 37.897 75.794 1.25403 633.4 4.6 4.3 6.0 27 6 6 0 38.532 77.064 1.23649 202.6 1.5 1.4 6.0 28 8 3 1 39.164 78.329 1.21967 779.5 5.7 5.3 6.0 29 6 6 2 39.794 79.587 1.20351 504.5 3.7 3.4 6.0 30 7 5 2 40.42 80.841 1.18799 263.1 1.9 1.8 6.1 31 3 3 8 41.668 83.335 1.15865 383.4 2.8 2.6 6.1 32 8 4 2 42.289 84.578 1.14477 163.3 1.2 1.1 6.1 33 5 5 6 42.909 85.817 1.13138 522.1 3.8 3.5 6.1 34 8 5 1 44.146 88.291 1.10595 415.3 3.0 2.8 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) |