data_global
_amcsd_formula_title 'Ba Co S2'
loop_
_publ_author_name
'Snyder G'
'Gelabert M'
'DiSalvo F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 113 
_journal_year 1994
_journal_page_first 355
_journal_page_last 361
_publ_section_title
;
 Refined structure and properties of the layered Mott insulator Ba Co S2
 _cod_database_code 1005016
;
_database_code_amcsd 0013832
_chemical_formula_sum 'Ba Co S2'
_cell_length_a 6.4413
_cell_length_b 6.4926
_cell_length_c 8.9406
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 373.903
_exptl_crystal_density_diffrn      4.626
_symmetry_space_group_name_H-M 'C m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,-y,z'
  '+x,1/2-y,z'
  '1/2-x,y,-z'
  '-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,z'
  '-x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1   0.00000   0.25000   0.19810
Co1   0.00000   0.25000   0.59320
S1   0.00000   0.25000   0.84960
S2   0.25000   0.50000   0.50000
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
Ba1 0.01900 0.01100 0.01300 0.00000 0.00000 0.00000
Co1 0.02300 0.01600 0.01400 0.00000 0.00000 0.00000
S1 0.02100 0.00900 0.01100 0.00000 0.00000 0.00000
S2 0.01300 0.06200 0.01700 0.00000 0.00000 0.00000