data_global _chemical_name_mineral 'Beyerite' loop_ _publ_author_name 'Grice J D' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 693 _journal_page_last 698 _publ_section_title ; A solution to the crystal structures of bismutite and beyerite ; _database_code_amcsd 0005771 _chemical_formula_sum 'Bi2 Ca C2 O8' _cell_length_a 3.7729 _cell_length_b 3.7742 _cell_length_c 21.726 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 309.371 _exptl_crystal_density_diffrn 6.549 _symmetry_space_group_name_H-M 'I m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-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 Bi 0.00000 0.00000 -0.30915 0.01051 Ca 0.00000 0.00000 0.50000 0.01090 C 0.50000 0.50000 0.41070 0.01400 O1 0.50000 0.00000 0.25580 0.00500 O2 0.50000 0.20700 0.43790 0.01580 O3 0.50000 0.50000 0.34980 0.02000 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 Bi 0.01110 0.01140 0.00910 0.00000 0.00000 0.00000 Ca 0.01110 0.01000 0.01190 0.00000 0.00000 0.00000 C 0.01200 0.02600 0.00400 0.00000 0.00000 0.00000 O1 0.00600 0.00700 0.00000 0.00000 0.00000 0.00000 O2 0.01400 0.01500 0.01800 0.00000 0.00000 0.00700 O3 0.03100 0.02400 0.00400 0.00000 0.00000 0.00000