data_global _chemical_name_mineral 'Paderaite' loop_ _publ_author_name 'Topa D' 'Makovicky E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 481 _journal_page_last 495 _publ_section_title ; The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation ; _database_code_amcsd 0006087 _chemical_compound_source 'Bihor, Romania' _chemical_formula_sum 'Cu7.09 Ag.2 Pb1.37 Bi11.34 S22' _cell_length_a 17.585 _cell_length_b 3.9386 _cell_length_c 28.453 _cell_angle_alpha 90 _cell_angle_beta 105.41 _cell_angle_gamma 90 _cell_volume 1899.815 _exptl_crystal_density_diffrn 6.697 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Cu1 0.37050 0.25000 0.30590 1.00000 0.03300 Cu2 0.33940 0.25000 0.49140 1.00000 0.02300 Cu3 0.31170 0.25000 0.06560 1.00000 0.02200 Cu4 0.22840 0.75000 0.25480 1.00000 0.03600 Cu5 0.16160 0.25000 0.51030 1.00000 0.02500 Cu6 0.13200 0.25000 0.69620 1.00000 0.03100 Cu7 0.58380 0.75000 0.99780 1.00000 0.10200 Cu3b 0.23430 0.75000 0.94000 0.09000 0.02220 Ag3b 0.23430 0.75000 0.94000 0.20000 0.02220 Pb 0.34195 0.25000 0.18032 1.00000 0.02980 Bi1 0.27360 0.75000 0.62006 1.00000 0.01440 Bi2 0.29355 0.75000 0.77468 0.81500 0.01360 Pb2 0.29355 0.75000 0.77468 0.18500 0.01360 Bi3b 0.28837 0.75000 0.92156 0.71000 0.02220 Bi4 0.22884 0.75000 0.38139 1.00000 0.01450 Bi5 0.11975 0.25000 0.82186 1.00000 0.01450 Bi6 0.10532 0.75000 0.00502 1.00000 0.01790 Bi7 0.09598 0.25000 0.13563 0.81500 0.02200 Pb7 0.09598 0.25000 0.13563 0.18500 0.02200 Bi8 0.05401 0.25000 0.28225 1.00000 0.01330 Bi9 0.01535 0.75000 0.57041 1.00000 0.01300 Bi10 0.48282 0.75000 0.42972 1.00000 0.01340 Bi11 0.45935 0.25000 0.71944 1.00000 0.01260 Bi12 0.48094 0.25000 0.87687 1.00000 0.01540 S1 0.43080 0.75000 0.64910 1.00000 0.01000 S2 0.47430 0.75000 0.79740 1.00000 0.01200 S3 0.47250 0.75000 0.94490 1.00000 0.02200 S4 0.36590 0.75000 0.10410 1.00000 0.01900 S5 0.37950 0.75000 0.26620 1.00000 0.02000 S6 0.38450 0.25000 0.38660 1.00000 0.09000 S7 0.41260 0.75000 0.49880 1.00000 0.01400 S8 0.28910 0.25000 0.56160 1.00000 0.01600 S9 0.29190 0.25000 0.70470 1.00000 0.00800 S10 0.29870 0.25000 0.84500 1.00000 0.01800 S11 0.28540 0.25000 0.98150 1.00000 0.03600 S12 0.20490 0.75000 0.17160 1.00000 0.01300 S13 0.20500 0.25000 0.29220 1.00000 0.01000 S14 0.21230 0.25000 0.43920 1.00000 0.01300 S15 0.11330 0.25000 0.61460 1.00000 0.01300 S16 0.13350 0.75000 0.74160 1.00000 0.01500 S17 0.12330 0.75000 0.88720 1.00000 0.01300 S18 0.00660 0.75000 0.05530 1.00000 0.01300 S19 0.03350 0.75000 0.20500 1.00000 0.01700 S20 0.07460 0.75000 0.35330 1.00000 0.01000 S21 0.08880 0.75000 0.50220 1.00000 0.01500 S22 0.17760 0.25000 0.06650 1.00000 0.01700