data_global
_chemical_name_mineral 'Stibnite'
loop_
_publ_author_name
'Bayliss P'
'Nowacki W'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 135 
_journal_year 1972
_journal_page_first 308
_journal_page_last 315
_publ_section_title
;
 Refinement of the crystal structure of stibnite, Sb2S3
;
_database_code_amcsd 0010729
_chemical_formula_sum 'Sb2 S3'
_cell_length_a 11.3107
_cell_length_b 3.8363
_cell_length_c 11.2285
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 487.219
_exptl_crystal_density_diffrn      4.631
_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
Sb1   0.02930   0.25000   0.32610
Sb2   0.14950   0.75000   0.03600
S1   0.04970   0.25000   0.87690
S2   0.12510   0.75000   0.43860
S3   0.20790   0.25000   0.19170
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 0.01944 0.01074 0.01597 0.00000 0.00386 0.00000
Sb2 0.01750 0.01715 0.02299 0.00000 0.00836 0.00000
S1 0.02074 0.01342 0.01725 0.00000 0.00257 0.00000
S2 0.02268 0.01320 0.01533 0.00000 0.00515 0.00000
S3 0.02009 0.01991 0.01469 0.00000 0.00129 0.00000