The material structure described by Cu3SbS4 crystallizes in the cubic Fm-3m space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. Sb(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. S(1) is bonded to three equivalent Cu(1) and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SCu3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.634
_cell_length_b   8.634
_cell_length_c   8.634
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.126
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.250  0.250  0.250  1.0
  Sb  Sb7  1  0.750  0.750  0.750  1.0
  S  S8  1  0.138  0.138  0.587  1.0
  S  S9  1  0.862  0.862  0.413  1.0
  S  S10  1  0.138  0.138  0.138  1.0
  S  S11  1  0.862  0.862  0.862  1.0
  S  S12  1  0.862  0.413  0.862  1.0
  S  S13  1  0.413  0.862  0.862  1.0
  S  S14  1  0.587  0.138  0.138  1.0
  S  S15  1  0.138  0.587  0.138  1.0
[/CIF]
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The material structure described by Cu3SbS4 crystallizes in the cubic Fm-3m space group. Cu(1) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. Sb(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. S(1) is bonded to three equivalent Cu(1) and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SCu3Sb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.634
_cell_length_b   8.634
_cell_length_c   8.634
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   455.126
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.250  0.250  0.250  1.0
  Sb  Sb7  1  0.750  0.750  0.750  1.0
  S  S8  1  0.138  0.138  0.587  1.0
  S  S9  1  0.862  0.862  0.413  1.0
  S  S10  1  0.138  0.138  0.138  1.0
  S  S11  1  0.862  0.862  0.862  1.0
  S  S12  1  0.862  0.413  0.862  1.0
  S  S13  1  0.413  0.862  0.862  1.0
  S  S14  1  0.587  0.138  0.138  1.0
  S  S15  1  0.138  0.587  0.138  1.0
[/CIF]
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