data_global _chemical_name_mineral 'Garavellite' loop_ _publ_author_name 'Bindi L' 'Menchetti S' _journal_name_full 'Mineralogy and Petrology' _journal_volume 85 _journal_year 2005 _journal_page_first 131 _journal_page_last 139 _publ_section_title ; Garavellite, FeSbBiS4, from the Caspari mine, North Rhine-Westphalia, Germany: composition, physical properties and determination of the crystal structure ; _database_code_amcsd 0014648 _chemical_compound_source 'Caspari mine, North Rhine-Westphalia, Germany' _chemical_formula_sum 'Fe Sb Bi S4' _cell_length_a 11.413 _cell_length_b 14.164 _cell_length_c 3.759 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 607.656 _exptl_crystal_density_diffrn 5.628 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-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_U_iso_or_equiv Fe 0.31672 0.33489 0.25000 0.01820 Sb 0.14462 0.05404 0.25000 0.01830 Bi 0.03880 0.40851 0.75000 0.01830 S1 0.19510 0.27110 0.75000 0.01840 S2 0.42240 0.18390 0.25000 0.01570 S3 0.22330 0.49520 0.25000 0.01600 S4 0.45120 0.40490 0.75000 0.01600 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Fe 0.01850 0.01760 0.01850 0.00020 0.00000 0.00000 Sb 0.01820 0.01820 0.01840 -0.00020 0.00000 0.00000 Bi 0.01850 0.01810 0.01830 -0.00010 0.00000 0.00000 S1 0.02100 0.01800 0.01700 -0.00100 0.00000 0.00000 S2 0.01700 0.01500 0.01500 -0.00100 0.00000 0.00000 S3 0.01700 0.01600 0.01500 -0.00100 0.00000 0.00000 S4 0.01800 0.01500 0.01500 -0.00100 0.00000 0.00000