The structure described by LaCuS2 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to three equivalent S(2) and four equivalent S(1) atoms. Cu(1) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing SLa4Cu trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LaCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.593
_cell_length_b   6.939
_cell_length_c   7.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.930
_symmetry_Int_Tables_number   1
_cell_volume   330.766
_cell_formula_units_Z   4
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
  La  La0  1  0.189  0.800  0.947  1.0
  La  La1  1  0.811  0.700  0.447  1.0
  La  La2  1  0.811  0.200  0.053  1.0
  La  La3  1  0.189  0.300  0.553  1.0
  Cu  Cu4  1  0.569  0.046  0.664  1.0
  Cu  Cu5  1  0.431  0.954  0.336  1.0
  Cu  Cu6  1  0.431  0.454  0.164  1.0
  Cu  Cu7  1  0.569  0.546  0.836  1.0
  S  S8  1  0.907  0.001  0.726  1.0
  S  S9  1  0.093  0.499  0.226  1.0
  S  S10  1  0.093  0.999  0.274  1.0
  S  S11  1  0.907  0.501  0.774  1.0
  S  S12  1  0.586  0.776  0.116  1.0
  S  S13  1  0.586  0.276  0.384  1.0
  S  S14  1  0.414  0.224  0.884  1.0
  S  S15  1  0.414  0.724  0.616  1.0
[/CIF]
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The structure described by LaCuS2 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to three equivalent S(2) and four equivalent S(1) atoms. Cu(1) is bonded to one S(1) and three equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing SLa4Cu trigonal bipyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent La(1) and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LaCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.593
_cell_length_b   6.939
_cell_length_c   7.299
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.930
_symmetry_Int_Tables_number   1
_cell_volume   330.766
_cell_formula_units_Z   4
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
  La  La0  1  0.189  0.800  0.947  1.0
  La  La1  1  0.811  0.700  0.447  1.0
  La  La2  1  0.811  0.200  0.053  1.0
  La  La3  1  0.189  0.300  0.553  1.0
  Cu  Cu4  1  0.569  0.046  0.664  1.0
  Cu  Cu5  1  0.431  0.954  0.336  1.0
  Cu  Cu6  1  0.431  0.454  0.164  1.0
  Cu  Cu7  1  0.569  0.546  0.836  1.0
  S  S8  1  0.907  0.001  0.726  1.0
  S  S9  1  0.093  0.499  0.226  1.0
  S  S10  1  0.093  0.999  0.274  1.0
  S  S11  1  0.907  0.501  0.774  1.0
  S  S12  1  0.586  0.776  0.116  1.0
  S  S13  1  0.586  0.276  0.384  1.0
  S  S14  1  0.414  0.224  0.884  1.0
  S  S15  1  0.414  0.724  0.616  1.0
[/CIF]
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