data_9004678
_publ_section_title
;
 A solution to the crystal structures of bismutite and beyerite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              693
_journal_page_last               698
_journal_paper_doi               10.2113/gscanmin.40.2.693
_journal_volume                  40
_journal_year                    2002
_chemical_formula_sum            'C2 Bi2 Ca O8'
_chemical_name_mineral           Beyerite
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7729
_cell_length_b                   3.7742
_cell_length_c                   21.726
_cell_volume                     309.371
_exptl_crystal_density_diffrn    6.549
_[local]_cod_chemical_formula_sum_orig 'Bi2 Ca C2 O8'
_cod_database_code               9004678
loop_
_symmetry_equiv_pos_as_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
