The compound described by Co3Cu(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form CoS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the second Co site, Co(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), one Cu(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Co(2), one Cu(1), and one Sn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Co3Cu(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.088
_cell_length_b   7.052
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   59.656
_cell_angle_gamma   119.834
_symmetry_Int_Tables_number   1
_cell_volume   252.447
_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  0.741  0.871  0.879  1.0
  Co  Co1  1  0.500  0.002  0.500  1.0
  Co  Co2  1  0.500  0.498  0.500  1.0
  Cu  Cu3  1  0.263  0.132  0.118  1.0
  Sn  Sn4  1  0.999  0.500  0.002  1.0
  Sn  Sn5  1  0.999  0.500  0.499  1.0
  S  S6  1  0.958  0.735  0.271  1.0
  S  S7  1  0.958  0.223  0.271  1.0
  S  S8  1  0.492  0.246  0.719  1.0
  S  S9  1  0.492  0.246  0.288  1.0
  S  S10  1  0.037  0.258  0.731  1.0
  S  S11  1  0.037  0.779  0.731  1.0
  S  S12  1  0.511  0.755  0.274  1.0
  S  S13  1  0.511  0.755  0.715  1.0
[/CIF]
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The compound described by Co3Cu(SnS4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(3) and two equivalent S(4) atoms to form CoS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-65°. In the second Co site, Co(2) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Co(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Co(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. Sn(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form SnS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(2), one Cu(1), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Co(2), one Cu(1), and one Sn(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Sn(1) atoms. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Co3Cu(SnS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.088
_cell_length_b   7.052
_cell_length_c   7.162
_cell_angle_alpha   90.000
_cell_angle_beta   59.656
_cell_angle_gamma   119.834
_symmetry_Int_Tables_number   1
_cell_volume   252.447
_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  0.741  0.871  0.879  1.0
  Co  Co1  1  0.500  0.002  0.500  1.0
  Co  Co2  1  0.500  0.498  0.500  1.0
  Cu  Cu3  1  0.263  0.132  0.118  1.0
  Sn  Sn4  1  0.999  0.500  0.002  1.0
  Sn  Sn5  1  0.999  0.500  0.499  1.0
  S  S6  1  0.958  0.735  0.271  1.0
  S  S7  1  0.958  0.223  0.271  1.0
  S  S8  1  0.492  0.246  0.719  1.0
  S  S9  1  0.492  0.246  0.288  1.0
  S  S10  1  0.037  0.258  0.731  1.0
  S  S11  1  0.037  0.779  0.731  1.0
  S  S12  1  0.511  0.755  0.274  1.0
  S  S13  1  0.511  0.755  0.715  1.0
[/CIF]
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