The material structure described by LiCuS crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 9-coordinate geometry to five equivalent Cu(1) and four equivalent S(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to five equivalent Li(1) and three equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   6.586
_cell_length_c   7.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.018
_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
  Li  Li0  1  0.750  0.810  0.554  1.0
  Li  Li1  1  0.750  0.690  0.054  1.0
  Li  Li2  1  0.250  0.190  0.446  1.0
  Li  Li3  1  0.250  0.310  0.946  1.0
  Cu  Cu4  1  0.750  0.169  0.738  1.0
  Cu  Cu5  1  0.750  0.331  0.238  1.0
  Cu  Cu6  1  0.250  0.669  0.762  1.0
  Cu  Cu7  1  0.250  0.831  0.262  1.0
  S  S8  1  0.750  0.508  0.769  1.0
  S  S9  1  0.750  0.992  0.269  1.0
  S  S10  1  0.250  0.008  0.731  1.0
  S  S11  1  0.250  0.492  0.231  1.0
[/CIF]
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The material structure described by LiCuS crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 9-coordinate geometry to five equivalent Cu(1) and four equivalent S(1) atoms. Cu(1) is bonded in a 8-coordinate geometry to five equivalent Li(1) and three equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to four equivalent Li(1) and three equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   6.586
_cell_length_c   7.527
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.018
_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
  Li  Li0  1  0.750  0.810  0.554  1.0
  Li  Li1  1  0.750  0.690  0.054  1.0
  Li  Li2  1  0.250  0.190  0.446  1.0
  Li  Li3  1  0.250  0.310  0.946  1.0
  Cu  Cu4  1  0.750  0.169  0.738  1.0
  Cu  Cu5  1  0.750  0.331  0.238  1.0
  Cu  Cu6  1  0.250  0.669  0.762  1.0
  Cu  Cu7  1  0.250  0.831  0.262  1.0
  S  S8  1  0.750  0.508  0.769  1.0
  S  S9  1  0.750  0.992  0.269  1.0
  S  S10  1  0.250  0.008  0.731  1.0
  S  S11  1  0.250  0.492  0.231  1.0
[/CIF]
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