The structure described by CuS is Covellite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with three equivalent S(1)Cu3S tetrahedra and corners with seven equivalent Cu(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cu(1) and one S(1) atom to form distorted SCu3S tetrahedra that share corners with three equivalent Cu(1)S4 tetrahedra, corners with six equivalent S(1)Cu3S tetrahedra, and corners with three equivalent S(2)Cu5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cu(1) and three equivalent Cu(2) atoms to form SCu5 trigonal bipyramids that share corners with six equivalent S(1)Cu3S tetrahedra and corners with six equivalent S(2)Cu5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.775
_cell_length_b   3.775
_cell_length_c   16.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.370
_symmetry_Int_Tables_number   1
_cell_volume   200.352
_cell_formula_units_Z   6
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  0.662  0.338  0.607  1.0
  Cu  Cu1  1  0.338  0.662  0.107  1.0
  Cu  Cu2  1  0.662  0.338  0.893  1.0
  Cu  Cu3  1  0.636  0.364  0.250  1.0
  Cu  Cu4  1  0.338  0.662  0.393  1.0
  Cu  Cu5  1  0.364  0.636  0.750  1.0
  S  S6  1  0.996  0.004  0.564  1.0
  S  S7  1  0.695  0.305  0.750  1.0
  S  S8  1  0.004  0.996  0.064  1.0
  S  S9  1  0.305  0.695  0.250  1.0
  S  S10  1  0.996  0.004  0.936  1.0
  S  S11  1  0.004  0.996  0.436  1.0
[/CIF]
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The structure described by CuS is Covellite structured and crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with three equivalent S(1)Cu3S tetrahedra and corners with seven equivalent Cu(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded in a trigonal planar geometry to three equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cu(1) and one S(1) atom to form distorted SCu3S tetrahedra that share corners with three equivalent Cu(1)S4 tetrahedra, corners with six equivalent S(1)Cu3S tetrahedra, and corners with three equivalent S(2)Cu5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Cu(1) and three equivalent Cu(2) atoms to form SCu5 trigonal bipyramids that share corners with six equivalent S(1)Cu3S tetrahedra and corners with six equivalent S(2)Cu5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.775
_cell_length_b   3.775
_cell_length_c   16.293
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.370
_symmetry_Int_Tables_number   1
_cell_volume   200.352
_cell_formula_units_Z   6
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  0.662  0.338  0.607  1.0
  Cu  Cu1  1  0.338  0.662  0.107  1.0
  Cu  Cu2  1  0.662  0.338  0.893  1.0
  Cu  Cu3  1  0.636  0.364  0.250  1.0
  Cu  Cu4  1  0.338  0.662  0.393  1.0
  Cu  Cu5  1  0.364  0.636  0.750  1.0
  S  S6  1  0.996  0.004  0.564  1.0
  S  S7  1  0.695  0.305  0.750  1.0
  S  S8  1  0.004  0.996  0.064  1.0
  S  S9  1  0.305  0.695  0.250  1.0
  S  S10  1  0.996  0.004  0.936  1.0
  S  S11  1  0.004  0.996  0.436  1.0
[/CIF]
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