data_global _chemical_name_mineral 'Eclarite' loop_ _publ_author_name 'Kupcik V' _journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen' _journal_volume 32 _journal_year 1984 _journal_page_first 259 _journal_page_last 269 _publ_section_title ; Die kristallstruktur des minerals eclarit, (Cu,Fe)Pb9Bi12S28 ; _database_code_amcsd 0015698 _chemical_formula_sum '(Cu.6 Fe.4) Pb9 Bi11.4 Sb.6 S28' _cell_length_a 54.760 _cell_length_b 4.030 _cell_length_c 22.75 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 5020.534 _exptl_crystal_density_diffrn 6.983 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Cu 0.30550 0.75000 0.13900 0.60000 0.04053 Fe 0.30550 0.75000 0.13900 0.40000 0.04053 Pb1 0.00840 0.25000 0.23460 1.00000 0.02786 Pb2 0.11630 0.75000 0.00350 1.00000 0.03166 Pb3 0.17910 0.75000 0.11770 1.00000 0.02913 Pb4 0.18420 0.75000 0.31580 1.00000 0.02660 Pb5 0.24950 0.75000 0.20650 1.00000 0.02280 Pb6 0.32160 0.25000 0.00040 1.00000 0.03926 Pb7 0.36930 0.25000 0.13820 1.00000 0.03926 Pb8 0.43010 0.25000 0.03400 1.00000 0.03926 Pb9 0.02600 0.25000 0.04450 0.20000 0.03926 Pb10 0.00600 0.25000 0.42110 0.20000 0.02280 Pb11 0.37930 0.75000 0.32740 0.20000 0.02280 Pb12 0.43770 0.75000 0.20540 0.20000 0.01646 Pb13 0.44120 0.25000 0.36740 0.20000 0.01900 Bi1 0.07010 0.75000 0.14810 1.00000 0.01773 Bi2 0.06580 0.75000 0.33080 1.00000 0.01520 Bi3 0.12560 0.25000 0.22210 1.00000 0.02153 Bi4 0.12310 0.25000 0.40920 1.00000 0.01900 Bi5 0.24510 0.25000 0.03570 1.00000 0.02026 Bi6 0.25130 0.25000 0.37540 1.00000 0.02533 Bi7 0.31620 0.25000 0.27980 1.00000 0.01900 Bi8 0.31970 0.75000 0.44260 1.00000 0.01520 BiMe1 0.02600 0.25000 0.04450 0.68000 0.03926 SbMe1 0.02600 0.25000 0.04450 0.12000 0.03926 BiMe2 0.00600 0.25000 0.42110 0.68000 0.02280 SbMe2 0.00600 0.25000 0.42110 0.12000 0.02280 BiMe3 0.37930 0.75000 0.32740 0.68000 0.02280 SbMe3 0.37930 0.75000 0.32740 0.12000 0.02280 BiMe4 0.43770 0.75000 0.20540 0.68000 0.01646 SbMe4 0.43770 0.75000 0.20540 0.12000 0.01646 BiMe5 0.44120 0.25000 0.36740 0.68000 0.01900 SbMe5 0.44120 0.25000 0.36740 0.12000 0.01900 S1 0.02230 0.75000 0.13600 1.00000 0.01393 S2 0.01900 0.75000 0.32400 1.00000 0.01520 S3 0.07520 0.25000 0.06700 1.00000 0.01900 S4 0.06450 0.25000 0.24000 1.00000 0.02660 S5 0.06540 0.25000 0.41600 1.00000 0.01267 S6 0.12550 0.75000 0.14000 1.00000 0.01520 S7 0.12510 0.75000 0.31600 1.00000 0.02280 S8 0.12300 0.75000 0.48900 1.00000 0.02406 S9 0.15320 0.25000 0.03600 1.00000 0.00760 S10 0.17250 0.25000 0.21800 1.00000 0.01646 S11 0.17080 0.25000 0.40900 1.00000 0.02533 S12 0.22130 0.25000 0.13600 1.00000 0.01646 S13 0.22580 0.25000 0.28400 1.00000 0.00507 S14 0.22360 0.75000 0.41800 1.00000 0.01393 S15 0.27500 0.75000 0.06200 1.00000 0.01520 S16 0.29280 0.25000 0.18300 1.00000 0.01267 S17 0.28530 0.75000 0.32300 1.00000 0.01646 S18 0.29120 0.25000 0.48700 1.00000 0.01773 S19 0.34010 0.75000 0.08000 1.00000 0.01773 S20 0.34680 0.75000 0.23200 1.00000 0.03040 S21 0.35320 0.25000 0.39400 1.00000 0.01900 S22 0.40820 0.75000 0.10400 1.00000 0.02660 S23 0.40510 0.25000 0.26900 1.00000 0.01520 S24 0.41110 0.75000 0.42000 1.00000 0.03673 S25 0.47580 0.75000 0.03500 1.00000 0.02913 S26 0.46460 0.25000 0.16400 1.00000 0.02026 S27 0.46630 0.75000 0.30700 1.00000 0.01900 S28 0.47330 0.25000 0.46200 1.00000 0.03673