The material structure described by CoSP is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form CoP3S3 octahedra that share corners with twelve equivalent Co(1)P3S3 octahedra, corners with three equivalent P(1)Co3S tetrahedra, and corners with three equivalent S(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. P(1) is bonded to three equivalent Co(1) and one S(1) atom to form PCo3S tetrahedra that share corners with three equivalent Co(1)P3S3 octahedra, corners with six equivalent P(1)Co3S tetrahedra, and corners with nine equivalent S(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles are 77°. S(1) is bonded to three equivalent Co(1) and one P(1) atom to form SCo3P tetrahedra that share corners with three equivalent Co(1)P3S3 octahedra, corners with six equivalent S(1)Co3P tetrahedra, and corners with nine equivalent P(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF file [CIF]
data_CoPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   5.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.608
_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
  Co  Co0  1  0.498  0.502  0.002  1.0
  Co  Co1  1  0.502  0.002  0.498  1.0
  Co  Co2  1  0.002  0.498  0.502  1.0
  Co  Co3  1  0.998  0.998  0.998  1.0
  P  P4  1  0.886  0.114  0.614  1.0
  P  P5  1  0.114  0.614  0.886  1.0
  P  P6  1  0.614  0.886  0.114  1.0
  P  P7  1  0.386  0.386  0.386  1.0
  S  S8  1  0.115  0.885  0.385  1.0
  S  S9  1  0.885  0.385  0.115  1.0
  S  S10  1  0.385  0.115  0.885  1.0
  S  S11  1  0.615  0.615  0.615  1.0
[/CIF]
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The material structure described by CoSP is Spinel-like structured and crystallizes in the cubic P2_13 space group. Co(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form CoP3S3 octahedra that share corners with twelve equivalent Co(1)P3S3 octahedra, corners with three equivalent P(1)Co3S tetrahedra, and corners with three equivalent S(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles range from 64-65°. P(1) is bonded to three equivalent Co(1) and one S(1) atom to form PCo3S tetrahedra that share corners with three equivalent Co(1)P3S3 octahedra, corners with six equivalent P(1)Co3S tetrahedra, and corners with nine equivalent S(1)Co3P tetrahedra. The corner-sharing octahedral tilt angles are 77°. S(1) is bonded to three equivalent Co(1) and one P(1) atom to form SCo3P tetrahedra that share corners with three equivalent Co(1)P3S3 octahedra, corners with six equivalent S(1)Co3P tetrahedra, and corners with nine equivalent P(1)Co3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the CIF file [CIF]
data_CoPS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   5.402
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   157.608
_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
  Co  Co0  1  0.498  0.502  0.002  1.0
  Co  Co1  1  0.502  0.002  0.498  1.0
  Co  Co2  1  0.002  0.498  0.502  1.0
  Co  Co3  1  0.998  0.998  0.998  1.0
  P  P4  1  0.886  0.114  0.614  1.0
  P  P5  1  0.114  0.614  0.886  1.0
  P  P6  1  0.614  0.886  0.114  1.0
  P  P7  1  0.386  0.386  0.386  1.0
  S  S8  1  0.115  0.885  0.385  1.0
  S  S9  1  0.885  0.385  0.115  1.0
  S  S10  1  0.385  0.115  0.885  1.0
  S  S11  1  0.615  0.615  0.615  1.0
[/CIF]
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