data_global
_chemical_name_mineral 'Heyrovskyite'
loop_
_publ_author_name
'Makovicky E'
'Mumme W G'
'Hoskins B F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 29 
_journal_year 1991
_journal_page_first 553
_journal_page_last 559
_publ_section_title
;
 The crystal structure of Ag-Bi-bearing heyrovskyite
;
_database_code_amcsd 0005269
_chemical_compound_source 'La Roche Balue, west of Nantes, France'
_chemical_formula_sum 'Pb3.37 Bi3.32 Ag1.31 S9'
_cell_length_a 4.11
_cell_length_b 13.60
_cell_length_c 30.485
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1703.990
_exptl_crystal_density_diffrn      7.102
_symmetry_space_group_name_H-M 'C m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
PbMe1   0.00000   0.40280   0.25000   1.00000 ?
PbMe2   0.00000   0.50000   0.00000   0.79000 ?
BiMe2   0.00000   0.50000   0.00000   0.21000 ?
PbMe3   0.00000   0.22840   0.05990   0.79000 ?
BiMe3   0.00000   0.22840   0.05990   0.21000 ?
AgMe4   0.50000   0.17290   0.17780   0.65500 ?
BiMe4   0.50000   0.17290   0.17780   0.34500 ?
BiMe5   0.50000   0.45440   0.12170   1.00000 ?
S1   0.00000   0.04330   0.19500   1.00000   0.01960
S2   0.50000   0.08880   0.08530   1.00000   0.02170
S3   0.50000   0.25670   0.25000   1.00000   0.03280
S4   0.00000   0.32730   0.15010   1.00000   0.01650
S5   0.50000   0.35900   0.02510   1.00000   0.01020
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
PbMe1 0.01500 0.02620 0.04780 0.00000 0.00000 0.00000
PbMe2 0.00920 0.01530 0.03240 0.00050 0.00000 0.00000
BiMe2 0.00920 0.01530 0.03240 0.00050 0.00000 0.00000
PbMe3 0.00990 0.01160 0.03700 0.00000 0.00000 0.00200
BiMe3 0.00990 0.01160 0.03700 0.00000 0.00000 0.00200
AgMe4 0.00980 0.02430 0.01760 0.00000 0.00000 0.00910
BiMe4 0.00980 0.02430 0.01760 0.00000 0.00000 0.00910
BiMe5 0.01140 0.01460 0.01850 0.00000 0.00000 0.00140