The compound described by CoNi5S8 is Spinel-like structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to four equivalent S(2) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Ni(2)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. In the second Ni site, Ni(2) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoNi5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.663
_cell_length_c   6.663
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   209.139
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Ni  Ni1  1  0.126  0.625  0.625  1.0
  Ni  Ni2  1  0.625  0.126  0.625  1.0
  Ni  Ni3  1  0.625  0.625  0.126  1.0
  Ni  Ni4  1  0.625  0.625  0.625  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.400  0.867  0.867  1.0
  S  S7  1  0.867  0.400  0.867  1.0
  S  S8  1  0.867  0.867  0.400  1.0
  S  S9  1  0.867  0.867  0.867  1.0
  S  S10  1  0.855  0.382  0.382  1.0
  S  S11  1  0.382  0.855  0.382  1.0
  S  S12  1  0.382  0.382  0.855  1.0
  S  S13  1  0.382  0.382  0.382  1.0
[/CIF]
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The compound described by CoNi5S8 is Spinel-like structured and crystallizes in the cubic F-43m space group. Co(1) is bonded to four equivalent S(2) atoms to form CoS4 tetrahedra that share corners with twelve equivalent Ni(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form NiS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Ni(2)S4 tetrahedra, and edges with six equivalent Ni(1)S6 octahedra. In the second Ni site, Ni(2) is bonded to four equivalent S(1) atoms to form corner-sharing NiS4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2) and three equivalent Ni(1) atoms to form a mixture of distorted edge and corner-sharing SNi4 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Co(1) and three equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoNi5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.663
_cell_length_b   6.663
_cell_length_c   6.663
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   209.139
_cell_formula_units_Z   1
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  0.250  0.250  0.250  1.0
  Ni  Ni1  1  0.126  0.625  0.625  1.0
  Ni  Ni2  1  0.625  0.126  0.625  1.0
  Ni  Ni3  1  0.625  0.625  0.126  1.0
  Ni  Ni4  1  0.625  0.625  0.625  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.400  0.867  0.867  1.0
  S  S7  1  0.867  0.400  0.867  1.0
  S  S8  1  0.867  0.867  0.400  1.0
  S  S9  1  0.867  0.867  0.867  1.0
  S  S10  1  0.855  0.382  0.382  1.0
  S  S11  1  0.382  0.855  0.382  1.0
  S  S12  1  0.382  0.382  0.855  1.0
  S  S13  1  0.382  0.382  0.382  1.0
[/CIF]
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