#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004922.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_9004922 _chemical_name 'Rouxelite' loop_ _publ_author_name 'Orlandi P' 'Meerschaut A' 'Moelo Y' 'Palvadeau P' 'Leone P' _journal_name_full "The Canadian Mineralogist" _journal_volume 43 _journal_year 2005 _journal_page_first 919 _journal_page_last 933 _publ_section_title ; Lead-antimony sulfosalts from Tuscany (Italy). VIII. Rouxelite, Cu2HgPb22Sb28S6 A new sulfosalt from Buca Della Vena mine, Apuan Alps: definition and crystal s Locality: Buca Della Vena mine, Apuan Alps ; _chemical_formula_sum 'Hg Cu2 Pb22.612 Sb27.388 S64.66 O1.34' _cell_length_a 43.113 _cell_length_b 4.0591 _cell_length_c 37.874 _cell_angle_alpha 90 _cell_angle_beta 117.35 _cell_angle_gamma 90 _cell_volume 5887.055 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv Hg 0.00000 0.00000 0.00000 1.00000 0.03200 Cu 0.07920 0.00000 0.17190 1.00000 0.03000 Pb1 0.48600 0.00000 0.09260 1.00000 0.02900 Pb2 0.38530 0.00000 0.09140 1.00000 0.02800 Pb3 0.29420 0.00000 0.09920 1.00000 0.03400 Pb4 0.26070 0.00000 0.19230 1.00000 0.03300 Pb5 0.15660 0.00000 0.18580 1.00000 0.03500 Pb6 0.24660 0.00000 0.30510 1.00000 0.03500 Pb7 0.31490 0.00000 0.42780 1.00000 0.02900 Pb8 0.39680 0.00000 0.55000 1.00000 0.03300 Pb9 0.52080 0.00000 0.31870 1.00000 0.03400 Sb1 0.09770 0.00000 0.99550 1.00000 0.02800 Sb2 0.19710 0.00000 0.00280 1.00000 0.03300 Sb3 0.17790 0.50000 0.09570 1.00000 0.02600 Sb4 0.07990 0.50000 0.08510 1.00000 0.03000 Sb5 0.14730 0.50000 0.28250 1.00000 0.03200 Sb6 0.22130 0.50000 0.39400 1.00000 0.02100 Sb7 0.30210 0.50000 0.51620 1.00000 0.04400 Sb8 0.38160 0.50000 0.63770 1.00000 0.03400 Sb9 0.45840 0.08300 0.49910 0.50000 0.03700 Sb10 0.33090 0.50000 0.30080 1.00000 0.05900 Sb11 0.35260 0.50000 0.20190 1.00000 0.05200 Sb12 0.44660 0.50000 0.21210 1.00000 0.04100 Pb13 0.39250 0.50000 0.39910 0.78000 0.05000 Sb13 0.39250 0.50000 0.39910 0.22000 0.05000 Pb14 0.48270 0.00000 0.40310 0.50000 0.04700 Sb14 0.47780 0.11200 0.40020 0.25000 0.04700 Pb15 0.41450 0.50000 0.30030 0.57400 0.04500 Sb15 0.42700 0.46700 0.30200 0.21300 0.04500 Pb16 0.53940 0.00000 0.22160 0.45200 0.02300 Sb16 0.52580 0.00000 0.20580 0.54800 0.02300 S1 0.14590 0.50000 0.99430 1.00000 0.05900 S2 0.05570 0.50000 0.99170 1.00000 0.04200 S3 0.02470 0.00000 0.07060 1.00000 0.02200 S4 0.12230 0.00000 0.09300 1.00000 0.03000 S5 0.21450 0.00000 0.09620 1.00000 0.02900 S6 0.19940 0.50000 0.16700 1.00000 0.03300 S7 0.26870 0.50000 0.25820 1.00000 0.01800 S8 0.18810 0.50000 0.25430 1.00000 0.01300 S9 0.09810 0.50000 0.15730 1.00000 0.03000 S10 0.11010 0.00000 0.24320 1.00000 0.03600 S11 0.19000 0.00000 0.34350 1.00000 0.04500 S12 0.27010 0.50000 0.37380 1.00000 0.01600 S13 0.26430 0.00000 0.45730 1.00000 0.03700 S14 0.34690 0.50000 0.49390 1.00000 0.03200 S15 0.33860 0.00000 0.57280 1.00000 0.03800 S16 0.41140 0.00000 0.68530 1.00000 0.03500 S17 0.42550 0.50000 0.61380 1.00000 0.02300 S18 0.44870 0.50000 0.54140 1.00000 0.04600 S19 0.39590 0.00000 0.45120 1.00000 0.04100 S20 0.46160 0.50000 0.44440 1.00000 0.02000 S21 0.32410 0.00000 0.34520 1.00000 0.03100 S22 0.41410 0.00000 0.35540 1.00000 0.03400 S23 0.48200 0.50000 0.35490 1.00000 0.03800 S24 0.33840 0.00000 0.24710 1.00000 0.03800 S25 0.43750 0.00000 0.26660 1.00000 0.05400 S26 0.51130 0.50000 0.26070 1.00000 0.02800 S27 0.29150 0.50000 0.15510 1.00000 0.02400 S28 0.36230 0.00000 0.15920 1.00000 0.02700 S29 0.45770 0.00000 0.17380 1.00000 0.03500 S30 0.52400 0.50000 0.16290 1.00000 0.03100 S31 0.32920 0.50000 0.07190 1.00000 0.02200 S32 0.42980 0.50000 0.07760 1.00000 0.02100 S33 0.23400 0.50000 0.01800 0.33000 0.03400 O33 0.20500 0.50000 0.00600 0.67000 0.03400