The material structure described by LiCuS crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded in a 7-coordinate geometry to four equivalent Cu(1) and three equivalent S(1) atoms. Cu(1) is bonded in a 3-coordinate geometry to four equivalent Li(1) and three equivalent S(1) atoms. S(1) is bonded to three equivalent Li(1) and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   4.100
_cell_length_c   6.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.928
_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
  Li  Li0  1  0.000  0.477  0.016  1.0
  Li  Li1  1  0.500  0.523  0.516  1.0
  Cu  Cu2  1  0.000  0.944  0.335  1.0
  Cu  Cu3  1  0.500  0.056  0.835  1.0
  S  S4  1  0.000  0.193  0.657  1.0
  S  S5  1  0.500  0.807  0.157  1.0
[/CIF]
.
The material structure described by LiCuS crystallizes in the orthorhombic Pmn2_1 space group. Li(1) is bonded in a 7-coordinate geometry to four equivalent Cu(1) and three equivalent S(1) atoms. Cu(1) is bonded in a 3-coordinate geometry to four equivalent Li(1) and three equivalent S(1) atoms. S(1) is bonded to three equivalent Li(1) and three equivalent Cu(1) atoms to form a mixture of distorted edge and corner-sharing SLi3Cu3 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. is represented by the CIF card [CIF]
data_LiCuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.829
_cell_length_b   4.100
_cell_length_c   6.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   96.928
_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
  Li  Li0  1  0.000  0.477  0.016  1.0
  Li  Li1  1  0.500  0.523  0.516  1.0
  Cu  Cu2  1  0.000  0.944  0.335  1.0
  Cu  Cu3  1  0.500  0.056  0.835  1.0
  S  S4  1  0.000  0.193  0.657  1.0
  S  S5  1  0.500  0.807  0.157  1.0
[/CIF]
.