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 *** *********************** PETRUKITE 1, from Herb claim, British Columbia [Cu(1.85)Fe(0.95)Zn(0.24)][Sn(0.89)In(0.05)]S(4) Orthorhombic P mn2(1) Z = 2 R =0.08 12 .4 .1900 Ref.Str.: G.Adiwija, J.Lohn (1970) * Acta Cryst., B26, 1878 Ref.Composition & Lattice: Kissin S.A. et al. (1989) * Canad. Miner., 27, 673-688 Reserv: The coordinates of atoms are from enargite. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 7.6671 alpha = 90.0 b = 6.4399 beta = 90.0 c = 6.2605 gamma = 90.0 Unit cell volume (cub. angs.) = 309.11 Molar volume ( cub.cm/mol.) = 93.1 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.0 0.8268 0.0 0.0 Sn = 0.89, In = 0.05 2 0.0 0.1514 0.4983 0.81 Cu = 0.62, Fe = 0.3 , Zn = 0.08 3 0.2466 0.3255 0.9866 0.93 Cu = 0.62, Fe = 0.3 , Zn = 0.08 4 0.0 0.8226 0.6454 0.0 S = 1.00 5 0.0 0.1436 0.1166 0.08 S = 1.00 6 0.2598 0.3364 0.6188 0.0 S = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.0 0.8268 0.0 2 2 0.0 0.1514 0.4983 3 3 0.2466 0.3255 0.9866 4 4 0.0 0.8226 0.6454 5 5 0.0 0.1436 0.1166 6 6 0.2598 0.3364 0.6188 7 1 0.5 0.1732 0.5 8 2 0.5 0.8486 0.9983 9 3 0.2534 0.6745 0.4866 10 4 0.5 0.1774 0.1454 11 5 0.5 0.8564 0.6166 12 6 0.2402 0.6636 0.1188 13 3 0.7534 0.3255 0.9866 14 6 0.7402 0.3364 0.6188 15 3 0.7466 0.6745 0.4866 16 6 0.7598 0.6636 0.1188 X-ray density (g/cm cub.) = 4.55 MU (1/cm) = 764.548 Mass attenuation coefficient (cm**2/g) = 167.982 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Sn ,In 3.744 4 2.2201 4 2.1668 5 2.2471 6 2.2471 6 2 Cu ,Fe ,Zn 3.36 4 2.309 4 2.3902 5 2.4405 6 2.4405 6 3 Cu ,Fe ,Zn 3.36 4 2.3684 5 2.3059 6 2.3817 4 2.3298 6 4 S 4.368 12 3.6022 5 3.903 5 3.8657 6 3.7147 6 3.844 5 3.844 5 3.6364 6 3.9127 6 3.8657 6 3.7147 6 3.6364 6 3.9127 6 5 S 4.368 12 3.903 4 3.6022 4 3.9235 6 3.9015 6 3.844 4 3.844 4 3.8218 6 3.5982 6 3.9235 6 3.9015 6 3.8218 6 3.5982 6 6 S 4.368 12 3.7147 4 3.8657 4 3.9015 5 3.9235 5 3.9127 4 3.6364 4 3.8218 5 3.5982 5 3.7764 6 3.7764 6 3.6833 6 3.9838 6 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 1 0 7.984 15.968 0.078 100.73 2 24.4 125.6 2 1 1 0 10.451 20.901 0.101 57.88 4 38.5 359.3 3 1 0 1 10.629 21.258 0.103 55.88 4 42.9 430.4 4 0 1 1 11.494 22.987 0.111 47.48 4 30.4 184.0 5 1 1 1 13.35 26.7 0.129 34.66 8 12.4 44.4 6 2 0 0 13.493 26.986 0.13 33.89 2 33.7 80.7 7 2 1 0 15.756 31.511 0.152 24.33 4 163.1 2708.4 8 0 2 0 16.128 32.256 0.155 23.14 2 162.7 1282.5 9 0 0 2 16.604 33.207 0.16 21.73 2 238.2 2579.2 10 1 2 0 17.535 35.07 0.168 19.29 4 14.5 17.0 11 2 1 1 17.868 35.737 0.172 18.51 8 150.8 3525.6 12 0 2 1 18.202 36.405 0.175 17.78 4 142.9 1520.1 13 0 1 2 18.525 37.05 0.178 17.1 4 19.6 27.4 14 1 2 1 19.478 38.957 0.186 15.31 8 27.0 93.7 15 1 1 2 19.783 39.566 0.189 14.79 8 22.3 61.6 16 2 2 0 21.271 42.541 0.203 12.58 4 3.1 0.5 17 2 0 2 21.648 43.296 0.206 12.09 4 28.3 40.7 18 3 1 0 22.119 44.239 0.21 11.52 4 30.1 43.8 19 3 0 1 22.211 44.423 0.211 11.41 4 21.9 22.9 20 2 2 1 22.948 45.896 0.218 10.6 8 33.1 97.2 21 2 1 2 23.215 46.431 0.22 10.33 8 106.7 985.3 22 0 2 2 23.486 46.971 0.223 10.06 4 109.1 501.2 23 3 1 1 23.749 47.498 0.225 9.81 8 18.2 27.2 24 1 2 2 24.535 49.069 0.232 9.11 8 14.4 15.8 25 0 3 0 24.625 49.25 0.233 9.04 2 25.4 12.2 26 1 3 0 25.639 51.279 0.242 8.24 4 33.1 37.7 27 0 3 1 26.135 52.271 0.246 7.89 4 13.9 6.4 28 1 0 3 26.373 52.746 0.248 7.73 4 36.7 43.6 29 3 2 0 26.54 53.081 0.25 7.62 4 16.3 8.5 30 0 1 3 26.78 53.56 0.252 7.46 4 37.9 44.8 31 1 3 1 27.109 54.218 0.255 7.26 8 27.3 45.2 32 2 2 2 27.503 55.006 0.258 7.03 8 6.0 2.1 33 1 1 3 27.738 55.475 0.26 6.89 8 10.9 6.8 34 4 0 0 27.817 55.634 0.261 6.85 2 269.6 1041.3 35 3 2 1 27.977 55.954 0.262 6.76 8 18.4 19.1 36 3 1 2 28.209 56.418 0.264 6.63 8 25.9 37.1 37 2 3 0 28.526 57.052 0.267 6.47 4 262.5 1865.1 38 4 1 0 29.136 58.271 0.272 6.17 4 19.5 9.8 39 2 3 1 29.899 59.798 0.279 5.82 8 14.0 9.5 40 0 3 2 30.348 60.695 0.282 5.63 4 23.8 13.3 41 2 1 3 30.49 60.981 0.284 5.57 8 212.7 2109.7 42 4 1 1 30.491 60.983 0.284 5.57 8 23.8 26.5 43 0 2 3 30.715 61.43 0.286 5.48 4 208.9 1000.7 44 1 3 2 31.234 62.469 0.29 5.28 8 21.9 21.2 45 1 2 3 31.596 63.191 0.293 5.15 8 32.9 46.7 46 3 2 2 32.031 64.063 0.296 5.0 8 8.9 3.3 47 4 2 0 32.893 65.786 0.304 4.72 4 125.3 310.0 48 3 3 0 32.967 65.935 0.304 4.69 4 31.1 19.0 49 4 0 2 33.174 66.348 0.306 4.63 4 186.6 674.9 50 3 0 3 33.598 67.196 0.309 4.51 4 32.0 19.3 51 0 4 0 33.75 67.5 0.311 4.47 2 117.1 128.2 52 2 3 2 33.815 67.631 0.311 4.45 8 182.0 1233.7 53 2 2 3 34.162 68.324 0.314 4.36 8 38.3 53.5 54 4 2 1 34.163 68.326 0.314 4.36 8 116.0 490.7 55 3 3 1 34.236 68.472 0.314 4.34 8 37.9 52.2 56 4 1 2 34.37 68.74 0.316 4.3 8 16.9 10.3 57 1 4 0 34.589 69.179 0.317 4.25 4 45.3 36.5 58 3 1 3 34.787 69.574 0.319 4.2 8 12.0 5.1 59 0 0 4 34.854 69.709 0.319 4.18 2 107.1 100.3 60 0 4 1 35.005 70.01 0.321 4.14 4 123.0 262.5 61 1 4 1 35.831 71.662 0.327 3.96 8 8.5 2.4 62 0 1 4 36.024 72.049 0.329 3.91 4 20.5 6.9 63 0 3 3 36.711 73.422 0.334 3.78 4 14.0 3.1 64 1 1 4 36.84 73.681 0.335 3.75 8 23.4 17.2 65 5 1 0 36.843 73.685 0.335 3.75 4 29.4 13.6 66 5 0 1 36.91 73.819 0.336 3.74 4 43.2 29.2 67 2 4 0 37.055 74.11 0.337 3.71 4 27.6 11.8 68 1 3 3 37.521 75.042 0.34 3.63 8 33.2 33.5 69 4 2 2 37.855 75.709 0.343 3.57 8 88.7 235.1 70 3 3 2 37.925 75.849 0.344 3.56 8 21.0 13.1 71 5 1 1 38.054 76.108 0.345 3.54 8 4.1 0.5 72 2 0 4 38.118 76.237 0.345 3.52 4 34.5 17.6 73 3 2 3 38.256 76.511 0.346 3.5 8 29.7 25.9 74 2 4 1 38.264 76.528 0.346 3.5 8 18.6 10.1 75 0 4 2 38.664 77.328 0.349 3.44 4 80.5 93.3 76 4 3 0 38.727 77.453 0.35 3.43 4 24.5 8.6 77 2 1 4 39.251 78.502 0.354 3.35 8 45.9 59.2 78 0 2 4 39.452 78.904 0.355 3.33 4 57.7 46.4 79 1 4 2 39.461 78.922 0.355 3.33 8 31.9 28.4 80 2 3 3 39.919 79.837 0.359 3.26 8 6.2 1.1 81 4 3 1 39.92 79.839 0.359 3.26 8 10.9 3.2 82 1 2 4 40.244 80.489 0.361 3.22 8 25.1 17.1 83 5 2 0 40.247 80.493 0.361 3.22 4 10.6 1.5 84 4 1 3 40.441 80.882 0.363 3.2 8 33.1 29.3 85 3 4 0 41.043 82.086 0.367 3.13 4 43.8 25.1 86 5 2 1 41.429 82.857 0.37 3.09 8 26.8 18.6 87 5 1 2 41.623 83.246 0.371 3.07 8 18.2 8.5 88 2 4 2 41.828 83.656 0.373 3.05 8 25.5 16.6 89 3 4 1 42.221 84.441 0.376 3.02 8 4.7 0.6 90 2 2 4 42.603 85.206 0.378 2.99 8 12.0 3.6 91 3 1 4 43.188 86.375 0.383 2.94 8 34.1 28.6 92 4 3 2 43.454 86.909 0.384 2.92 8 22.7 12.6 93 4 2 3 43.776 87.552 0.387 2.9 8 174.4 738.4 94 3 3 3 43.844 87.688 0.387 2.89 8 33.5 27.2 95 0 5 0 43.985 87.97 0.388 2.89 2 9.3 0.5 96 6 0 0 44.425 88.85 0.391 2.86 2 28.3 4.8 97 0 4 3 44.563 89.127 0.392 2.85 4 172.8 356.5 98 1 5 0 44.765 89.53 0.394 2.84 4 6.0 0.4 99 5 2 2 44.947 89.893 0.395 2.83 8 20.0 9.5 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 0 1 0 7.984 15.968 6.4399 125.6 3.6 3.6 5.6 2 1 1 0 10.451 20.901 4.93121 359.3 10.2 10.3 5.6 3 1 0 1 10.629 21.258 4.84926 430.4 12.2 12.4 5.6 4 0 1 1 11.494 22.987 4.48893 184.0 5.2 5.3 5.6 5 1 1 1 13.35 26.7 3.87382 44.4 1.3 1.3 5.6 6 2 0 0 13.493 26.986 3.83355 80.7 2.3 2.3 5.6 7 2 1 0 15.756 31.511 3.29408 2708.4 76.8 77.1 5.6 8 0 2 0 16.128 32.256 3.21995 1282.5 36.4 36.5 5.6 9 0 0 2 16.604 33.207 3.13025 2579.2 73.2 73.3 5.6 10 2 1 1 17.868 35.737 2.91517 3525.6 100.0 100.0 5.7 11 0 2 1 18.202 36.405 2.86341 1520.1 43.1 43.1 5.7 12 1 2 1 19.478 38.957 2.68245 93.7 2.7 2.6 5.7 13 1 1 2 19.783 39.566 2.64276 61.6 1.7 1.7 5.7 14 2 0 2 21.648 43.296 2.42463 40.7 1.2 1.1 5.7 15 3 1 0 22.119 44.239 2.37548 43.8 1.2 1.2 5.7 16 2 2 1 22.948 45.896 2.2941 97.2 2.8 2.7 5.7 17 2 1 2 23.215 46.431 2.26913 985.3 27.9 27.6 5.7 18 0 2 2 23.486 46.971 2.24446 501.2 14.2 14.1 5.7 19 1 3 0 25.639 51.279 2.06714 37.7 1.1 1.1 5.8 20 1 0 3 26.373 52.746 2.01358 43.6 1.2 1.2 5.8 21 0 1 3 26.78 53.56 1.9852 44.8 1.3 1.2 5.8 22 1 3 1 27.109 54.218 1.96291 45.2 1.3 1.3 5.8 23 4 0 0 27.817 55.634 1.91677 1041.3 29.5 28.9 5.8 24 3 1 2 28.209 56.418 1.89229 37.1 1.1 1.0 5.8 25 2 3 0 28.526 57.052 1.87298 1865.1 52.9 51.6 5.8 26 2 1 3 30.49 60.981 1.76286 2136.2 60.6 58.8 5.8 27 0 2 3 30.715 61.43 1.75121 1000.7 28.4 27.5 5.8 28 1 2 3 31.596 63.191 1.70725 46.7 1.3 1.3 5.9 29 4 2 0 32.893 65.786 1.64704 310.0 8.8 8.5 5.9 30 4 0 2 33.174 66.348 1.63466 674.9 19.1 18.4 5.9 31 0 4 0 33.75 67.5 1.60997 128.2 3.6 3.5 5.9 32 2 3 2 33.815 67.631 1.60724 1233.7 35.0 33.6 5.9 33 4 2 1 34.163 68.326 1.59284 544.2 15.4 14.8 5.9 34 3 3 1 34.236 68.472 1.58985 52.2 1.5 1.4 5.9 35 1 4 0 34.589 69.179 1.57561 36.5 1.0 1.0 5.9 36 0 0 4 34.854 69.709 1.56513 100.3 2.8 2.7 5.9 37 0 4 1 35.005 70.01 1.55924 262.5 7.4 7.1 5.9 38 4 2 2 37.855 75.709 1.45758 235.1 6.7 6.3 6.0 39 3 2 3 38.256 76.511 1.44461 36.0 1.0 1.0 6.0 40 0 4 2 38.664 77.328 1.43171 93.3 2.6 2.5 6.0 41 2 1 4 39.251 78.502 1.41367 59.2 1.7 1.6 6.0 42 0 2 4 39.452 78.904 1.40765 74.7 2.1 2.0 6.0 43 4 2 3 43.776 87.552 1.29287 738.4 20.9 19.3 6.2 44 0 4 3 44.563 89.127 1.27471 356.5 10.1 9.3 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) |