data_global
_chemical_name_mineral 'Stibnite'
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 #4
;
_database_code_amcsd 0003552
_chemical_formula_sum 'Sb2 S3'
_cell_length_a 11.3197
_cell_length_b 3.8332
_cell_length_c 11.2330
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 487.407
_exptl_crystal_density_diffrn      4.629
_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
Sb1   0.47065   0.25000   0.32599   0.01620
Sb2   0.35054   0.75000   0.03603   0.02010
S1   0.29215   0.25000   0.19193   0.01608
S2   0.54969   0.75000   0.12291   0.01608
S3   0.37495   0.75000   0.43873   0.01621
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
Sb1 0.01810 0.01330 0.01720 0.00000 0.00181 0.00000
Sb2 0.01660 0.01970 0.02400 0.00000 -0.00447 0.00000
S1 0.01680 0.01720 0.01440 0.00000 -0.00110 0.00000
S2 0.01570 0.01560 0.01690 0.00000 -0.00150 0.00000
S3 0.02000 0.01440 0.01430 0.00000 0.00240 0.00000