data_global _chemical_name_mineral 'Dukeite' loop_ _publ_author_name 'Burns P C' 'Roberts A C' 'Stirling J A R' 'Criddle A J' 'Feinglos M N' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 1822 _journal_page_last 1827 _publ_section_title ; Dukeite, Bi24Cr8O57(OH)6(H2O)3, a new mineral from Brejauba, Minas Gerais, Brazil: Description and crystal structure ; _database_code_amcsd 0002599 _chemical_formula_sum 'Bi12 Cr4 O33 H6' _cell_length_a 15.067 _cell_length_b 15.067 _cell_length_c 15.293 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3006.609 _exptl_crystal_density_diffrn 7.179 _symmetry_space_group_name_H-M 'P 3 1 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x-y,-y,1/2+z' '-y,x-y,z' 'y,x,1/2+z' '-x+y,-x,z' '-x,-x+y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Bi1 -0.02370 0.80740 0.06300 ? Bi2 0.69280 0.66930 0.06760 ? Bi3 0.83090 0.52450 0.06460 ? Bi4 0.67520 0.47640 0.26000 ? Bi5 0.02510 0.70210 0.26520 ? Bi6 0.29210 0.82450 0.26490 ? Bi7 0.17010 0.97400 0.26030 ? Bi8 0.12610 0.64640 0.06510 ? Cr1 0.16600 0.83600 -0.08900 0.01490 Cr2 0.66667 0.33333 -0.09200 0.00440 Cr3 0.00000 0.00000 -0.08800 0.02580 Cr4 -0.00200 0.49400 -0.09990 0.01330 O1 0.17100 0.83200 0.32800 0.00960 O2 0.29000 0.94700 0.20400 0.00960 O-H3 0.83000 0.66000 -0.00400 0.00960 O4 0.55300 0.34000 0.20100 0.00960 O5 0.04100 0.84100 0.19700 0.00960 O6 0.84100 0.79000 0.12200 0.00960 O7 0.70900 0.54800 0.13200 0.00960 O8 0.96800 0.65500 0.11200 0.00960 O9 0.16000 0.83200 0.01900 0.00960 O10 0.66667 0.33333 0.01500 0.00960 O11 0.00000 0.00000 -0.19400 0.00960 O12 -0.00400 0.49700 -0.20700 0.00960 O13 -0.02000 0.09300 -0.06200 0.00960 O14 -0.02700 0.57900 -0.06200 0.00960 O15 -0.08600 0.38000 -0.06300 0.00960 O16 0.67100 0.23400 -0.13100 0.00960 O17 0.19100 0.75100 -0.12600 0.00960 O18 0.26300 0.94200 -0.12200 0.00960 O19 0.05500 0.81300 -0.12600 0.00960 O20 0.10900 0.51600 -0.06500 0.00960 O21 0.66667 0.33333 0.33000 0.00960 O22 0.14800 0.70700 0.19300 0.00960 O-H23 0.01700 0.50000 0.10500 0.00960 Wat24 0.33900 0.74400 0.10500 0.00960 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 Bi1 0.01920 0.03790 0.02000 0.01840 0.00380 0.00560 Bi2 0.01600 0.02630 0.01300 0.01170 -0.00230 0.00240 Bi3 0.01490 0.01750 0.01420 0.00540 0.00210 -0.00220 Bi4 0.01760 0.01330 0.00950 0.01120 0.00080 -0.00010 Bi5 0.01550 0.01510 0.01000 0.00830 0.00070 0.00280 Bi6 0.02010 0.01900 0.00780 0.01360 0.00120 0.00020 Bi7 0.02280 0.01630 0.01240 0.01180 -0.00020 -0.00430 Bi8 0.05350 0.01880 0.00500 0.00750 -0.00090 0.00090