The material structure described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(11), one S(15), one S(4), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(7)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(13), one S(2), one S(7), and one S(9) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, and corners with two equivalent Zn(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(10), one S(15), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(11), one S(15), one S(2), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(12), one S(16), one S(3), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. In the sixth Li site, Li(6) is bonded to one S(1), one S(12), one S(13), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(11), one S(16), one S(4), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(14), one S(2), one S(5), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(13), one S(4), one S(6), and one S(9) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(1), one S(10), one S(14), and one S(7) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one S(12), one S(14), one S(4), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Li(7)S4 tetrahedra, and corners with two equivalent Zn(2)S4 tetrahedra. In the second P site, P(2) is bonded to one S(11), one S(13), one S(3), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with two equivalent Zn(1)S4 tetrahedra. In the third P site, P(3) is bonded to one S(1), one S(15), one S(8), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(6)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(2), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, and corners with two equivalent Li(8)S4 tetrahedra. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(2), and one P(3) atom. In the second S site, S(2) is bonded to one Li(2), one Li(4), one Li(8), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, and corners with two equivalent S(5)Li3P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one P(2) atom. In the fourth S site, S(4) is bonded to one Li(1), one Li(7), one Zn(1), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(7)Li2ZnP tetrahedra, and corners with two equivalent S(11)Li3P tetrahedra. In the fifth S site, S(5) is bonded to one Li(1), one Li(5), one Li(8), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, and corners with two equivalent S(2)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(7), one Zn(2), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and corners with two equivalent S(4)Li2ZnP tetrahedra. In the eighth S site, S(8) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one P(3) atom. In the ninth S site, S(9) is bonded to one Li(2), one Li(8), one Zn(1), and one P(3) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(13)Li2ZnP tetrahedra, and corners with two equivalent S(2)Li3P tetrahedra. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(2), and one P(4) atom. In the eleventh S site, S(11) is bonded to one Li(1), one Li(4), one Li(7), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, and corners with two equivalent S(15)Li3P tetrahedra. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(6), and one P(1) atom. In the thirteenth S site, S(13) is bonded to one Li(2), one Li(6), one Zn(1), and one P(2) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and corners with two equivalent S(9)Li2ZnP tetrahedra. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(8), one Zn(2), and one P(1) atom. In the fifteenth S site, S(15) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, and corners with two equivalent S(11)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   10.284
_cell_length_c   10.326
_cell_angle_alpha   101.793
_cell_angle_beta   95.206
_cell_angle_gamma   100.068
_symmetry_Int_Tables_number   1
_cell_volume   634.351
_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  0.459  0.879  0.837  1.0
  Li  Li1  1  0.988  0.888  0.315  1.0
  Li  Li2  1  0.679  0.263  0.885  1.0
  Li  Li3  1  0.047  0.018  0.003  1.0
  Li  Li4  1  0.278  0.500  0.775  1.0
  Li  Li5  1  0.184  0.273  0.389  1.0
  Li  Li6  1  0.885  0.738  0.632  1.0
  Li  Li7  1  0.405  0.758  0.139  1.0
  Zn  Zn8  1  0.549  0.015  0.508  1.0
  Zn  Zn9  1  0.778  0.503  0.261  1.0
  P  P10  1  0.345  0.634  0.452  1.0
  P  P11  1  0.109  0.121  0.695  1.0
  P  P12  1  0.600  0.137  0.197  1.0
  P  P13  1  0.847  0.642  0.958  1.0
  S  S14  1  0.803  0.300  0.328  1.0
  S  S15  1  0.053  0.811  0.080  1.0
  S  S16  1  0.301  0.281  0.823  1.0
  S  S17  1  0.539  0.808  0.580  1.0
  S  S18  1  0.535  0.681  0.933  1.0
  S  S19  1  0.807  0.175  0.667  1.0
  S  S20  1  0.032  0.680  0.418  1.0
  S  S21  1  0.295  0.175  0.180  1.0
  S  S22  1  0.624  0.970  0.285  1.0
  S  S23  1  0.861  0.476  0.042  1.0
  S  S24  1  0.096  0.950  0.770  1.0
  S  S25  1  0.360  0.482  0.543  1.0
  S  S26  1  0.207  0.083  0.502  1.0
  S  S27  1  0.446  0.589  0.266  1.0
  S  S28  1  0.695  0.085  0.011  1.0
  S  S29  1  0.945  0.588  0.776  1.0
[/CIF]
.
The material structure described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(11), one S(15), one S(4), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(7)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(13), one S(2), one S(7), and one S(9) atom to form distorted LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, and corners with two equivalent Zn(1)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(10), one S(15), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(11), one S(15), one S(2), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(12), one S(16), one S(3), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. In the sixth Li site, Li(6) is bonded to one S(1), one S(12), one S(13), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(11), one S(16), one S(4), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(14), one S(2), one S(5), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(13), one S(4), one S(6), and one S(9) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(1), one S(10), one S(14), and one S(7) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one S(12), one S(14), one S(4), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Li(7)S4 tetrahedra, and corners with two equivalent Zn(2)S4 tetrahedra. In the second P site, P(2) is bonded to one S(11), one S(13), one S(3), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with two equivalent Zn(1)S4 tetrahedra. In the third P site, P(3) is bonded to one S(1), one S(15), one S(8), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(6)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(2), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, and corners with two equivalent Li(8)S4 tetrahedra. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(2), and one P(3) atom. In the second S site, S(2) is bonded to one Li(2), one Li(4), one Li(8), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, and corners with two equivalent S(5)Li3P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(5), and one P(2) atom. In the fourth S site, S(4) is bonded to one Li(1), one Li(7), one Zn(1), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(7)Li2ZnP tetrahedra, and corners with two equivalent S(11)Li3P tetrahedra. In the fifth S site, S(5) is bonded to one Li(1), one Li(5), one Li(8), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, and corners with two equivalent S(2)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(7), one Zn(2), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and corners with two equivalent S(4)Li2ZnP tetrahedra. In the eighth S site, S(8) is bonded in a trigonal planar geometry to one Li(4), one Li(6), and one P(3) atom. In the ninth S site, S(9) is bonded to one Li(2), one Li(8), one Zn(1), and one P(3) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(13)Li2ZnP tetrahedra, and corners with two equivalent S(2)Li3P tetrahedra. In the tenth S site, S(10) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(2), and one P(4) atom. In the eleventh S site, S(11) is bonded to one Li(1), one Li(4), one Li(7), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(13)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, and corners with two equivalent S(15)Li3P tetrahedra. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(6), and one P(1) atom. In the thirteenth S site, S(13) is bonded to one Li(2), one Li(6), one Zn(1), and one P(2) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(7)Li2ZnP tetrahedra,  a cornercorner with one S(11)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and corners with two equivalent S(9)Li2ZnP tetrahedra. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(8), one Zn(2), and one P(1) atom. In the fifteenth S site, S(15) is bonded to one Li(1), one Li(3), one Li(4), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(5)Li3P tetrahedra, and corners with two equivalent S(11)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded in a trigonal planar geometry to one Li(5), one Li(7), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.252
_cell_length_b   10.284
_cell_length_c   10.326
_cell_angle_alpha   101.793
_cell_angle_beta   95.206
_cell_angle_gamma   100.068
_symmetry_Int_Tables_number   1
_cell_volume   634.351
_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  0.459  0.879  0.837  1.0
  Li  Li1  1  0.988  0.888  0.315  1.0
  Li  Li2  1  0.679  0.263  0.885  1.0
  Li  Li3  1  0.047  0.018  0.003  1.0
  Li  Li4  1  0.278  0.500  0.775  1.0
  Li  Li5  1  0.184  0.273  0.389  1.0
  Li  Li6  1  0.885  0.738  0.632  1.0
  Li  Li7  1  0.405  0.758  0.139  1.0
  Zn  Zn8  1  0.549  0.015  0.508  1.0
  Zn  Zn9  1  0.778  0.503  0.261  1.0
  P  P10  1  0.345  0.634  0.452  1.0
  P  P11  1  0.109  0.121  0.695  1.0
  P  P12  1  0.600  0.137  0.197  1.0
  P  P13  1  0.847  0.642  0.958  1.0
  S  S14  1  0.803  0.300  0.328  1.0
  S  S15  1  0.053  0.811  0.080  1.0
  S  S16  1  0.301  0.281  0.823  1.0
  S  S17  1  0.539  0.808  0.580  1.0
  S  S18  1  0.535  0.681  0.933  1.0
  S  S19  1  0.807  0.175  0.667  1.0
  S  S20  1  0.032  0.680  0.418  1.0
  S  S21  1  0.295  0.175  0.180  1.0
  S  S22  1  0.624  0.970  0.285  1.0
  S  S23  1  0.861  0.476  0.042  1.0
  S  S24  1  0.096  0.950  0.770  1.0
  S  S25  1  0.360  0.482  0.543  1.0
  S  S26  1  0.207  0.083  0.502  1.0
  S  S27  1  0.446  0.589  0.266  1.0
  S  S28  1  0.695  0.085  0.011  1.0
  S  S29  1  0.945  0.588  0.776  1.0
[/CIF]
.