The material described by Zn(CoS2)4 crystallizes in the trigonal R-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. In the second Co site, Co(2) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zn(1) is bonded to six equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with six equivalent Co(2)S6 octahedra and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Zn(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Zn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   7.044
_cell_angle_alpha   55.905
_cell_angle_beta   55.905
_cell_angle_gamma   55.905
_symmetry_Int_Tables_number   1
_cell_volume   223.717
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.273  0.761  0.761  1.0
  S  S6  1  0.239  0.239  0.727  1.0
  S  S7  1  0.727  0.239  0.239  1.0
  S  S8  1  0.239  0.727  0.239  1.0
  S  S9  1  0.265  0.265  0.265  1.0
  S  S10  1  0.735  0.735  0.735  1.0
  S  S11  1  0.761  0.273  0.761  1.0
  S  S12  1  0.761  0.761  0.273  1.0
[/CIF]
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The material described by Zn(CoS2)4 crystallizes in the trigonal R-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CoS6 octahedra that share edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(1)S6 octahedra. In the second Co site, Co(2) is bonded to six equivalent S(1) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zn(1) is bonded to six equivalent S(1) atoms to form distorted ZnS6 octahedra that share corners with six equivalent Co(2)S6 octahedra and edges with six equivalent Co(1)S6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), two equivalent Co(1), and one Zn(1) atom. In the second S site, S(2) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Zn(CoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   7.044
_cell_length_c   7.044
_cell_angle_alpha   55.905
_cell_angle_beta   55.905
_cell_angle_gamma   55.905
_symmetry_Int_Tables_number   1
_cell_volume   223.717
_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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.500  0.500  1.0
  Co  Co2  1  0.500  0.000  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  S  S5  1  0.273  0.761  0.761  1.0
  S  S6  1  0.239  0.239  0.727  1.0
  S  S7  1  0.727  0.239  0.239  1.0
  S  S8  1  0.239  0.727  0.239  1.0
  S  S9  1  0.265  0.265  0.265  1.0
  S  S10  1  0.735  0.735  0.735  1.0
  S  S11  1  0.761  0.273  0.761  1.0
  S  S12  1  0.761  0.761  0.273  1.0
[/CIF]
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