The structure described by Cr4FeNiS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Ni(1) is bonded to four equivalent S(2) atoms to form NiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing SCr3Fe trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Cr4FeNiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   6.932
_cell_length_c   6.932
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   235.562
_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
  Cr  Cr0  1  0.507  0.510  0.997  1.0
  Cr  Cr1  1  0.507  0.997  0.997  1.0
  Cr  Cr2  1  0.993  0.997  0.510  1.0
  Cr  Cr3  1  0.993  0.997  0.997  1.0
  Fe  Fe4  1  0.750  0.375  0.375  1.0
  Ni  Ni5  1  0.250  0.625  0.625  1.0
  S  S6  1  0.015  0.773  0.242  1.0
  S  S7  1  0.015  0.242  0.242  1.0
  S  S8  1  0.485  0.242  0.773  1.0
  S  S9  1  0.485  0.242  0.242  1.0
  S  S10  1  0.991  0.236  0.755  1.0
  S  S11  1  0.991  0.755  0.755  1.0
  S  S12  1  0.509  0.755  0.236  1.0
  S  S13  1  0.509  0.755  0.755  1.0
[/CIF]
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The structure described by Cr4FeNiS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 58°. Ni(1) is bonded to four equivalent S(2) atoms to form NiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing SCr3Fe trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(1) and one Ni(1) atom. is represented by the CIF card [CIF]
data_Cr4FeNiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.932
_cell_length_b   6.932
_cell_length_c   6.932
_cell_angle_alpha   90.000
_cell_angle_beta   60.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   235.562
_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
  Cr  Cr0  1  0.507  0.510  0.997  1.0
  Cr  Cr1  1  0.507  0.997  0.997  1.0
  Cr  Cr2  1  0.993  0.997  0.510  1.0
  Cr  Cr3  1  0.993  0.997  0.997  1.0
  Fe  Fe4  1  0.750  0.375  0.375  1.0
  Ni  Ni5  1  0.250  0.625  0.625  1.0
  S  S6  1  0.015  0.773  0.242  1.0
  S  S7  1  0.015  0.242  0.242  1.0
  S  S8  1  0.485  0.242  0.773  1.0
  S  S9  1  0.485  0.242  0.242  1.0
  S  S10  1  0.991  0.236  0.755  1.0
  S  S11  1  0.991  0.755  0.755  1.0
  S  S12  1  0.509  0.755  0.236  1.0
  S  S13  1  0.509  0.755  0.755  1.0
[/CIF]
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