The material described by SSOs is Pyrite structured and crystallizes in the cubic Pa-3 space group. Os(1) is bonded to six equivalent S(1) atoms to form OsS6 octahedra that share corners with twelve equivalent Os(1)S6 octahedra and corners with six equivalent S(1)Os3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Os(1) and one S(1) atom to form distorted SOs3S tetrahedra that share corners with three equivalent Os(1)S6 octahedra and corners with fifteen equivalent S(1)Os3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF file [CIF]
data_OsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.640
_cell_length_c   5.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.417
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Os  Os0  1  0.000  0.500  0.500  1.0
  Os  Os1  1  0.500  0.500  0.000  1.0
  Os  Os2  1  0.500  0.000  0.500  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.385  0.115  0.885  1.0
  S  S5  1  0.115  0.885  0.385  1.0
  S  S6  1  0.885  0.385  0.115  1.0
  S  S7  1  0.615  0.615  0.615  1.0
  S  S8  1  0.385  0.385  0.385  1.0
  S  S9  1  0.115  0.615  0.885  1.0
  S  S10  1  0.885  0.115  0.615  1.0
  S  S11  1  0.615  0.885  0.115  1.0
[/CIF]
.
The material described by SSOs is Pyrite structured and crystallizes in the cubic Pa-3 space group. Os(1) is bonded to six equivalent S(1) atoms to form OsS6 octahedra that share corners with twelve equivalent Os(1)S6 octahedra and corners with six equivalent S(1)Os3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Os(1) and one S(1) atom to form distorted SOs3S tetrahedra that share corners with three equivalent Os(1)S6 octahedra and corners with fifteen equivalent S(1)Os3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF file [CIF]
data_OsS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   5.640
_cell_length_c   5.640
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   179.417
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Os  Os0  1  0.000  0.500  0.500  1.0
  Os  Os1  1  0.500  0.500  0.000  1.0
  Os  Os2  1  0.500  0.000  0.500  1.0
  Os  Os3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.385  0.115  0.885  1.0
  S  S5  1  0.115  0.885  0.385  1.0
  S  S6  1  0.885  0.385  0.115  1.0
  S  S7  1  0.615  0.615  0.615  1.0
  S  S8  1  0.385  0.385  0.385  1.0
  S  S9  1  0.115  0.615  0.885  1.0
  S  S10  1  0.885  0.115  0.615  1.0
  S  S11  1  0.615  0.885  0.115  1.0
[/CIF]
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