The compound described by LiCuS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 9-coordinate geometry to four equivalent Cu(1) and five equivalent S(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to four equivalent Li(1), four equivalent Cu(1), and four equivalent S(1) atoms. S(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.711
_cell_length_b   3.722
_cell_length_c   6.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.613
_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  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Li  Li2  1  0.250  0.250  0.157  1.0
  Li  Li3  1  0.750  0.750  0.843  1.0
  S  S4  1  0.750  0.750  0.246  1.0
  S  S5  1  0.250  0.250  0.754  1.0
[/CIF]
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The compound described by LiCuS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 9-coordinate geometry to four equivalent Cu(1) and five equivalent S(1) atoms. Cu(1) is bonded in a 12-coordinate geometry to four equivalent Li(1), four equivalent Cu(1), and four equivalent S(1) atoms. S(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.711
_cell_length_b   3.722
_cell_length_c   6.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.613
_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  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Li  Li2  1  0.250  0.250  0.157  1.0
  Li  Li3  1  0.750  0.750  0.843  1.0
  S  S4  1  0.750  0.750  0.246  1.0
  S  S5  1  0.250  0.250  0.754  1.0
[/CIF]
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