The crystal structure described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(4), one S(5), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with three equivalent Li(4)S4 tetrahedra, and corners with three equivalent P(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(2), one S(4), one S(5), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with three equivalent Li(4)S4 tetrahedra, and corners with three equivalent P(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(1), one S(3), one S(6), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with three equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(1), one S(4), one S(5), and one S(7) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, and corners with three equivalent Li(2)S4 tetrahedra. Zn(1) is bonded to one S(2), one S(3), one S(6), and one S(7) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with three equivalent P(1)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(2), one S(3), one S(5), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Zn(1)S4 tetrahedra. In the second P site, P(2) is bonded to one S(1), one S(4), one S(6), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, and corners with three equivalent Li(3)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), one Li(4), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(7)Li2ZnP tetrahedra, corners with two equivalent S(5)Li3P tetrahedra, and corners with three equivalent S(4)Li3P tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(1), and one P(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(1) atom. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form SLi3P tetrahedra that share corners with two equivalent S(7)Li2ZnP tetrahedra, corners with three equivalent S(1)Li3P tetrahedra, and corners with three equivalent S(5)Li3P tetrahedra. In the fifth S site, S(5) is bonded to one Li(1), one Li(2), one Li(4), and one P(1) atom to form SLi3P tetrahedra that share corners with two equivalent S(1)Li3P tetrahedra, corners with three equivalent S(7)Li2ZnP tetrahedra, and corners with three equivalent S(4)Li3P tetrahedra. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(2) atom. In the seventh S site, S(7) is bonded to one Li(2), one Li(4), one Zn(1), and one P(1) atom to form corner-sharing SLi2ZnP tetrahedra. In the eighth S site, S(8) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   6.240
_cell_length_c   10.197
_cell_angle_alpha   79.859
_cell_angle_beta   73.967
_cell_angle_gamma   62.532
_symmetry_Int_Tables_number   1
_cell_volume   313.338
_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  0.230  0.267  0.240  1.0
  Li  Li1  1  0.502  0.488  0.510  1.0
  Li  Li2  1  0.994  0.016  0.992  1.0
  Li  Li3  1  0.868  0.885  0.356  1.0
  Zn  Zn4  1  0.767  0.735  0.759  1.0
  P  P5  1  0.143  0.117  0.623  1.0
  P  P6  1  0.610  0.629  0.130  1.0
  S  S7  1  0.238  0.919  0.168  1.0
  S  S8  1  0.767  0.396  0.681  1.0
  S  S9  1  0.317  0.037  0.787  1.0
  S  S10  1  0.776  0.562  0.297  1.0
  S  S11  1  0.380  0.197  0.452  1.0
  S  S12  1  0.883  0.695  0.966  1.0
  S  S13  1  0.072  0.839  0.578  1.0
  S  S14  1  0.577  0.343  0.085  1.0
[/CIF]
.
The crystal structure described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(4), one S(5), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with three equivalent Li(4)S4 tetrahedra, and corners with three equivalent P(2)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(2), one S(4), one S(5), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with three equivalent Li(4)S4 tetrahedra, and corners with three equivalent P(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(1), one S(3), one S(6), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with three equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(1), one S(4), one S(5), and one S(7) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, and corners with three equivalent Li(2)S4 tetrahedra. Zn(1) is bonded to one S(2), one S(3), one S(6), and one S(7) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with three equivalent P(1)S4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(2), one S(3), one S(5), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with three equivalent Li(2)S4 tetrahedra, and corners with three equivalent Zn(1)S4 tetrahedra. In the second P site, P(2) is bonded to one S(1), one S(4), one S(6), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with three equivalent Li(1)S4 tetrahedra, and corners with three equivalent Li(3)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), one Li(4), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(7)Li2ZnP tetrahedra, corners with two equivalent S(5)Li3P tetrahedra, and corners with three equivalent S(4)Li3P tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(1), and one P(1) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(1) atom. In the fourth S site, S(4) is bonded to one Li(1), one Li(2), one Li(4), and one P(2) atom to form SLi3P tetrahedra that share corners with two equivalent S(7)Li2ZnP tetrahedra, corners with three equivalent S(1)Li3P tetrahedra, and corners with three equivalent S(5)Li3P tetrahedra. In the fifth S site, S(5) is bonded to one Li(1), one Li(2), one Li(4), and one P(1) atom to form SLi3P tetrahedra that share corners with two equivalent S(1)Li3P tetrahedra, corners with three equivalent S(7)Li2ZnP tetrahedra, and corners with three equivalent S(4)Li3P tetrahedra. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(2) atom. In the seventh S site, S(7) is bonded to one Li(2), one Li(4), one Zn(1), and one P(1) atom to form corner-sharing SLi2ZnP tetrahedra. In the eighth S site, S(8) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.784
_cell_length_b   6.240
_cell_length_c   10.197
_cell_angle_alpha   79.859
_cell_angle_beta   73.967
_cell_angle_gamma   62.532
_symmetry_Int_Tables_number   1
_cell_volume   313.338
_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  0.230  0.267  0.240  1.0
  Li  Li1  1  0.502  0.488  0.510  1.0
  Li  Li2  1  0.994  0.016  0.992  1.0
  Li  Li3  1  0.868  0.885  0.356  1.0
  Zn  Zn4  1  0.767  0.735  0.759  1.0
  P  P5  1  0.143  0.117  0.623  1.0
  P  P6  1  0.610  0.629  0.130  1.0
  S  S7  1  0.238  0.919  0.168  1.0
  S  S8  1  0.767  0.396  0.681  1.0
  S  S9  1  0.317  0.037  0.787  1.0
  S  S10  1  0.776  0.562  0.297  1.0
  S  S11  1  0.380  0.197  0.452  1.0
  S  S12  1  0.883  0.695  0.966  1.0
  S  S13  1  0.072  0.839  0.578  1.0
  S  S14  1  0.577  0.343  0.085  1.0
[/CIF]
.