data_global
_chemical_name_mineral 'Heyrovskyite'
loop_
_publ_author_name
'Takeuchi Y'
'Takagi J'
_journal_name_full 'Proceedings of the Japan Academy'
_journal_volume 50 
_journal_year 1974
_journal_page_first 76
_journal_page_last 79
_publ_section_title
;
 The structure of heyrovskyite (6PbS*Bi2S3)
;
_database_code_amcsd 0015328
_chemical_compound_source 'Yakuki mine, Fukushima Prefecture, Japan'
_chemical_formula_sum 'Pb6 Bi2 S9'
_cell_length_a 13.712
_cell_length_b 31.210
_cell_length_c 4.131
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1767.868
_exptl_crystal_density_diffrn      7.326
_symmetry_space_group_name_H-M 'B b m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,1/2+z'
  '-x,1/2+y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,-z'
  '1/2+x,1/2-y,1/2-z'
  'x,y,-z'
  '1/2+x,y,1/2-z'
  '-x,-y,z'
  '1/2-x,-y,1/2+z'
  'x,1/2-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
PbM1   0.41740   0.25000   0.00000   1.00000
PbM2   0.00000   0.00000   0.50000   1.00000
PbM3   0.22900   0.05830   0.00000   1.00000
PbM4   0.18150   0.17500   0.50000   0.50000
BiM4   0.18150   0.17500   0.50000   0.50000
PbM5   0.45640   0.11990   0.50000   0.50000
BiM5   0.45640   0.11990   0.50000   0.50000
S1   0.04630   0.19550   0.00000   1.00000
S2   0.08470   0.08630   0.50000   1.00000
S3   0.27720   0.25000   0.50000   1.00000
S4   0.32990   0.14700   0.00000   1.00000
S5   0.35980   0.02690   0.50000   1.00000
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
PbM1 0.04134 0.06366 0.05345 0.00000 0.00000 0.00000
PbM2 0.02810 0.02319 0.02521 0.00022 0.00000 0.00000
PbM3 0.02705 0.02714 0.02710 0.00087 0.00000 0.00000
PbM4 0.03962 0.02911 0.03344 -0.00065 0.00000 0.00000
BiM4 0.03962 0.02911 0.03344 -0.00065 0.00000 0.00000
PbM5 0.02743 0.02319 0.02571 -0.00043 0.00000 0.00000
BiM5 0.02743 0.02319 0.02571 -0.00043 0.00000 0.00000
S1 0.03877 0.02763 0.02888 0.00152 0.00000 0.00000
S2 0.03229 0.03010 0.02799 0.00173 0.00000 0.00000
S3 0.04258 0.01974 0.02672 0.00000 0.00000 0.00000
S4 0.03772 0.03948 0.03129 0.01019 0.00000 0.00000
S5 0.03286 0.02566 0.02217 0.00238 0.00000 0.00000