data_global
_chemical_name_mineral 'Ottemannite'
loop_
_publ_author_name
'Kniep R'
'Mootz D'
'Severin U'
'Wunderlich H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 2022
_journal_page_last 2023
_publ_section_title
;
 Structure of tin(II) tin(IV) trisulphide, a redetermination
;
_database_code_amcsd 0009775
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Sn2 S3'
_cell_length_a 8.878
_cell_length_b 3.751
_cell_length_c 14.020
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 466.885
_exptl_crystal_density_diffrn      4.746
_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
Sn1   0.16494   0.25000   0.05195
Sn2   0.48509   0.75000   0.16936
S1  -0.01953   0.75000   0.10640
S2   0.33879   0.75000  -0.00476
S3   0.28631   0.25000   0.21246
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
Sn1 0.01178 0.00912 0.01329 0.00000 -0.00228 0.00000
Sn2 0.01533 0.01393 0.02419 0.00000 -0.00042 0.00000
S1 0.01216 0.01140 0.01063 0.00000 0.00000 0.00000
S2 0.01152 0.01191 0.01380 0.00000 0.00089 0.00000
S3 0.01710 0.01254 0.01380 0.00000 -0.00266 0.00000