The material described by LiCuS crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   5.150
_cell_length_c   8.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.288
_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  0.250  0.014  0.639  1.0
  Li  Li1  1  0.750  0.514  0.861  1.0
  Li  Li2  1  0.250  0.486  0.139  1.0
  Li  Li3  1  0.750  0.986  0.361  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  S  S8  1  0.750  0.218  0.628  1.0
  S  S9  1  0.250  0.718  0.872  1.0
  S  S10  1  0.750  0.282  0.128  1.0
  S  S11  1  0.250  0.782  0.372  1.0
[/CIF]
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The material described by LiCuS crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent S(1) atoms to form a mixture of distorted edge and corner-sharing LiS4 tetrahedra. Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. S(1) is bonded to four equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Cu2 pentagonal pyramids. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   5.150
_cell_length_c   8.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.288
_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  0.250  0.014  0.639  1.0
  Li  Li1  1  0.750  0.514  0.861  1.0
  Li  Li2  1  0.250  0.486  0.139  1.0
  Li  Li3  1  0.750  0.986  0.361  1.0
  Cu  Cu4  1  0.500  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.000  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  S  S8  1  0.750  0.218  0.628  1.0
  S  S9  1  0.250  0.718  0.872  1.0
  S  S10  1  0.750  0.282  0.128  1.0
  S  S11  1  0.250  0.782  0.372  1.0
[/CIF]
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