data_global
_chemical_name_mineral 'Bismuthinite'
loop_
_publ_author_name
'Kyono A'
'Kimata M'
_journal_name_full 'American Mineralogist'
_journal_volume 89 
_journal_year 2004
_journal_page_first 932
_journal_page_last 940
_publ_section_title
;
 Structural variations induced by difference of the inert pair effect
 in the stibnite-bismuthinite solid solution series (Sb,Bi)2S3
 Sample #2
;
_database_code_amcsd 0003563
_chemical_formula_sum 'Bi2 S3'
_cell_length_a 11.345
_cell_length_b 3.994
_cell_length_c 11.193
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 507.176
_exptl_crystal_density_diffrn      6.734
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1   0.48350   0.25000   0.32570   0.01862
Bi2   0.34070   0.75000   0.03390   0.01900
S1   0.28350   0.25000   0.19430   0.01393
S2   0.54950   0.75000   0.12860   0.01520
S3   0.37670   0.75000   0.44140   0.01267
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 0.01990 0.01500 0.02080 0.00000 0.00400 0.00000
Bi2 0.01580 0.01920 0.02210 0.00000 -0.00180 0.00000
S1 0.01300 0.01600 0.01300 0.00000 -0.00400 0.00000
S2 0.01700 0.01500 0.01400 0.00000 0.00300 0.00000
S3 0.01200 0.01600 0.00900 0.00000 0.00300 0.00000