The material structure described by Li5P(S2Cl)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(2), two equivalent S(1), and two equivalent Cl(1) atoms to form distorted LiS3Cl2 trigonal bipyramids that share corners with three equivalent Li(2)S2Cl2 tetrahedra, corners with three equivalent P(1)S4 tetrahedra, corners with five equivalent Li(1)S3Cl2 trigonal bipyramids, and edges with four equivalent Li(1)S3Cl2 trigonal bipyramids. In the second Li site, Li(2) is bonded to two equivalent S(2) and two equivalent Cl(1) atoms to form LiS2Cl2 tetrahedra that share corners with two equivalent P(1)S4 tetrahedra and corners with twelve equivalent Li(1)S3Cl2 trigonal bipyramids. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share corners with two equivalent Li(2)S2Cl2 tetrahedra and corners with twelve equivalent Li(1)S3Cl2 trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one P(1) atom. In the second S site, S(2) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form corner-sharing SLi3P tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li5P(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   6.050
_cell_length_c   7.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.287
_symmetry_Int_Tables_number   1
_cell_volume   227.962
_cell_formula_units_Z   1
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  0.917  0.302  0.245  1.0
  Li  Li1  1  0.302  0.917  0.755  1.0
  Li  Li2  1  0.917  0.302  0.755  1.0
  Li  Li3  1  0.302  0.917  0.245  1.0
  Li  Li4  1  0.625  0.625  0.500  1.0
  P  P5  1  0.561  0.561  0.000  1.0
  S  S6  1  0.602  0.922  0.000  1.0
  S  S7  1  0.922  0.602  0.000  1.0
  S  S8  1  0.363  0.363  0.234  1.0
  S  S9  1  0.363  0.363  0.766  1.0
  Cl  Cl10  1  0.036  0.682  0.500  1.0
  Cl  Cl11  1  0.682  0.036  0.500  1.0
[/CIF]
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The material structure described by Li5P(S2Cl)2 crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(2), two equivalent S(1), and two equivalent Cl(1) atoms to form distorted LiS3Cl2 trigonal bipyramids that share corners with three equivalent Li(2)S2Cl2 tetrahedra, corners with three equivalent P(1)S4 tetrahedra, corners with five equivalent Li(1)S3Cl2 trigonal bipyramids, and edges with four equivalent Li(1)S3Cl2 trigonal bipyramids. In the second Li site, Li(2) is bonded to two equivalent S(2) and two equivalent Cl(1) atoms to form LiS2Cl2 tetrahedra that share corners with two equivalent P(1)S4 tetrahedra and corners with twelve equivalent Li(1)S3Cl2 trigonal bipyramids. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form PS4 tetrahedra that share corners with two equivalent Li(2)S2Cl2 tetrahedra and corners with twelve equivalent Li(1)S3Cl2 trigonal bipyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one P(1) atom. In the second S site, S(2) is bonded to one Li(2), two equivalent Li(1), and one P(1) atom to form corner-sharing SLi3P tetrahedra. Cl(1) is bonded in a 5-coordinate geometry to one Li(2) and four equivalent Li(1) atoms. is represented by the CIF card [CIF]
data_Li5P(S2Cl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.050
_cell_length_b   6.050
_cell_length_c   7.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.287
_symmetry_Int_Tables_number   1
_cell_volume   227.962
_cell_formula_units_Z   1
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  0.917  0.302  0.245  1.0
  Li  Li1  1  0.302  0.917  0.755  1.0
  Li  Li2  1  0.917  0.302  0.755  1.0
  Li  Li3  1  0.302  0.917  0.245  1.0
  Li  Li4  1  0.625  0.625  0.500  1.0
  P  P5  1  0.561  0.561  0.000  1.0
  S  S6  1  0.602  0.922  0.000  1.0
  S  S7  1  0.922  0.602  0.000  1.0
  S  S8  1  0.363  0.363  0.234  1.0
  S  S9  1  0.363  0.363  0.766  1.0
  Cl  Cl10  1  0.036  0.682  0.500  1.0
  Cl  Cl11  1  0.682  0.036  0.500  1.0
[/CIF]
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