The compound described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(16), one S(19), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(18), one S(21), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Zn(3)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(14), one S(2), one S(23), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one P(5)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(15), one S(24), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(10), one S(16), one S(19), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent P(4)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one S(11), one S(17), one S(20), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with two equivalent P(5)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(10), one S(13), one S(22), and one S(7) atom to form LiS4 trigonal pyramids that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(11), one S(14), one S(23), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one P(5)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the ninth Li site, Li(9) is bonded to one S(12), one S(15), one S(24), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Zn(3)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the tenth Li site, Li(10) is bonded to one S(10), one S(15), one S(19), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent P(3)S4 tetrahedra, corners with two equivalent P(4)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one S(18), one S(2), one S(23), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one S(16), one S(24), one S(3), and one S(9) atom to form LiS4 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 Zn(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, corners with two equivalent P(3)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(17), one S(2), one S(20), and one S(5) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, and corners with two equivalent P(5)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(1), one S(13), one S(22), and one S(4) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one S(12), one S(18), one S(21), and one S(9) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(13), one S(20), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the second P site, P(2) is bonded to one S(14), one S(2), one S(21), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with two equivalent Li(8)S4 tetrahedra. In the third P site, P(3) is bonded to one S(15), one S(19), one S(3), 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(5)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(9)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(24), and one S(4) atom to form PS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the fifth P site, P(5) is bonded to one S(11), one S(17), one S(22), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the sixth P site, P(6) is bonded to one S(12), one S(18), one S(23), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent Zn(3)S4 tetrahedra. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Zn(2), and one P(1) atom. In the second S site, S(2) is bonded to one Li(11), one Li(3), one Zn(1), and one P(2) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra, corners with two equivalent S(23)Li3P tetrahedra, and corners with two equivalent S(8)Li3P tetrahedra. In the third S site, S(3) is bonded to one Li(12), one Li(2), one Li(4), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra,  a cornercorner with one S(16)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, and corners with two equivalent S(24)Li3P tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(10), one Zn(2), and one P(4) atom to form corner-sharing SLi2ZnP tetrahedra. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(5) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(6) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(7), and one P(1) atom. In the eighth S site, S(8) is bonded to one Li(11), one Li(6), one Li(8), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra, corners with two equivalent S(2)Li2ZnP tetrahedra, and corners with two equivalent S(23)Li3P tetrahedra. In the ninth S site, S(9) is bonded to one Li(12), one Li(9), one Zn(3), and one P(3) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra,  a cornercorner with one S(16)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, corners with two equivalent S(24)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. In the tenth S site, S(10) is bonded to one Li(10), one Li(5), one Li(7), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(24)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(16)Li3P tetrahedra, and corners with two equivalent S(19)Li3P tetrahedra. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Li(6), one Li(8), and one P(5) atom. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one Li(9), one Zn(3), and one P(6) atom. In the thirteenth S site, S(13) is bonded in a trigonal planar geometry to one Li(7), one Zn(2), and one P(1) atom. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(8), and one P(2) atom. In the fifteenth S site, S(15) is bonded to one Li(10), one Li(4), one Li(9), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(19)Li3P tetrahedra, corners with two equivalent S(24)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded to one Li(1), one Li(12), one Li(5), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(10)Li3P tetrahedra, corners with two equivalent S(19)Li3P tetrahedra, and corners with two equivalent S(24)Li3P tetrahedra. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Li(6), one Zn(1), and one P(5) atom. In the eighteenth S site, S(18) is bonded to one Li(11), one Li(2), one Zn(3), and one P(6) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(2)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and corners with two equivalent S(23)Li3P tetrahedra. In the nineteenth S site, S(19) is bonded to one Li(1), one Li(10), one Li(5), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(10)Li3P tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, and corners with two equivalent S(16)Li3P tetrahedra. In the twentieth S site, S(20) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(1), and one P(1) atom. In the twenty-first S site, S(21) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(3), and one P(2) atom. In the twenty-second S site, S(22) is bonded in a trigonal non-coplanar geometry to one Li(7), one Zn(2), and one P(5) atom. In the twenty-third S site, S(23) is bonded to one Li(11), one Li(3), one Li(8), and one P(6) atom to form SLi3P tetrahedra that share corners with two equivalent S(18)Li2ZnP tetrahedra, corners with two equivalent S(2)Li2ZnP tetrahedra, and corners with two equivalent S(8)Li3P tetrahedra. In the twenty-fourth S site, S(24) is bonded to one Li(12), one Li(4), one Li(9), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, corners with two equivalent S(16)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. is represented by the CIF card [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   8.092
_cell_length_c   19.099
_cell_angle_alpha   90.128
_cell_angle_beta   90.129
_cell_angle_gamma   90.102
_symmetry_Int_Tables_number   1
_cell_volume   948.970
_cell_formula_units_Z   3
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  0.992  0.756  0.106  1.0
  Li  Li1  1  0.999  0.759  0.764  1.0
  Li  Li2  1  0.490  0.756  0.566  1.0
  Li  Li3  1  0.497  0.746  0.894  1.0
  Li  Li4  1  0.999  0.250  0.111  1.0
  Li  Li5  1  0.999  0.251  0.428  1.0
  Li  Li6  1  0.497  0.257  0.243  1.0
  Li  Li7  1  0.500  0.243  0.558  1.0
  Li  Li8  1  0.490  0.256  0.894  1.0
  Li  Li9  1  0.488  0.008  0.055  1.0
  Li  Li10  1  0.991  0.492  0.612  1.0
  Li  Li11  1  0.991  0.506  0.948  1.0
  Zn  Zn12  1  0.002  0.761  0.435  1.0
  Zn  Zn13  1  0.502  0.741  0.237  1.0
  Zn  Zn14  1  0.999  0.230  0.764  1.0
  P  P15  1  0.990  0.987  0.272  1.0
  P  P16  1  0.012  0.009  0.604  1.0
  P  P17  1  0.004  0.998  0.938  1.0
  P  P18  1  0.504  0.498  0.063  1.0
  P  P19  1  0.491  0.516  0.397  1.0
  P  P20  1  0.485  0.490  0.726  1.0
  S  S21  1  0.884  0.767  0.228  1.0
  S  S22  1  0.892  0.791  0.557  1.0
  S  S23  1  0.893  0.789  0.889  1.0
  S  S24  1  0.394  0.713  0.112  1.0
  S  S25  1  0.386  0.734  0.442  1.0
  S  S26  1  0.389  0.701  0.773  1.0
  S  S27  1  0.883  0.200  0.230  1.0
  S  S28  1  0.898  0.215  0.554  1.0
  S  S29  1  0.892  0.211  0.887  1.0
  S  S30  1  0.395  0.291  0.113  1.0
  S  S31  1  0.389  0.299  0.438  1.0
  S  S32  1  0.383  0.270  0.771  1.0
  S  S33  1  0.327  0.991  0.261  1.0
  S  S34  1  0.339  0.005  0.611  1.0
  S  S35  1  0.339  0.000  0.936  1.0
  S  S36  1  0.839  0.500  0.065  1.0
  S  S37  1  0.829  0.515  0.402  1.0
  S  S38  1  0.831  0.487  0.735  1.0
  S  S39  1  0.894  0.007  0.040  1.0
  S  S40  1  0.882  0.994  0.375  1.0
  S  S41  1  0.866  0.002  0.703  1.0
  S  S42  1  0.373  0.511  0.295  1.0
  S  S43  1  0.398  0.493  0.623  1.0
  S  S44  1  0.394  0.503  0.961  1.0
[/CIF]
.
The compound described by Li4Zn(PS4)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1), one S(16), one S(19), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(18), one S(21), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Zn(3)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(14), one S(2), one S(23), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one P(5)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(15), one S(24), one S(3), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(10), one S(16), one S(19), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent P(4)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one S(11), one S(17), one S(20), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with two equivalent P(5)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(10), one S(13), one S(22), and one S(7) atom to form LiS4 trigonal pyramids that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent P(1)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(11), one S(14), one S(23), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one P(5)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, and corners with two equivalent P(2)S4 tetrahedra. In the ninth Li site, Li(9) is bonded to one S(12), one S(15), one S(24), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(6)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Zn(3)S4 tetrahedra, and corners with two equivalent P(3)S4 tetrahedra. In the tenth Li site, Li(10) is bonded to one S(10), one S(15), one S(19), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, corners with two equivalent P(3)S4 tetrahedra, corners with two equivalent P(4)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the eleventh Li site, Li(11) is bonded to one S(18), one S(2), one S(23), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(8)S4 tetrahedra, corners with two equivalent P(2)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one S(16), one S(24), one S(3), and one S(9) atom to form LiS4 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 Zn(3)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, corners with two equivalent P(3)S4 tetrahedra, and corners with two equivalent P(4)S4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(17), one S(2), one S(20), and one S(5) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, and corners with two equivalent P(5)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(1), one S(13), one S(22), and one S(4) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent P(1)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one S(12), one S(18), one S(21), and one S(9) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, corners with two equivalent Li(9)S4 tetrahedra, and corners with two equivalent P(6)S4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(13), one S(20), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, corners with two equivalent Zn(2)S4 tetrahedra, and corners with two equivalent Li(7)S4 trigonal pyramids. In the second P site, P(2) is bonded to one S(14), one S(2), one S(21), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(3)S4 tetrahedra, and corners with two equivalent Li(8)S4 tetrahedra. In the third P site, P(3) is bonded to one S(15), one S(19), one S(3), 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(5)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(4)S4 tetrahedra, and corners with two equivalent Li(9)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(24), and one S(4) atom to form PS4 tetrahedra that share  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(1)S4 tetrahedra, corners with two equivalent Li(10)S4 tetrahedra, corners with two equivalent Li(12)S4 tetrahedra, corners with two equivalent Li(5)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the fifth P site, P(5) is bonded to one S(11), one S(17), one S(22), and one S(5) atom to form PS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Li(6)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and  a cornercorner with one Li(7)S4 trigonal pyramid. In the sixth P site, P(6) is bonded to one S(12), one S(18), one S(23), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra, corners with two equivalent Li(11)S4 tetrahedra, corners with two equivalent Li(2)S4 tetrahedra, and corners with two equivalent Zn(3)S4 tetrahedra. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Li(1), one Zn(2), and one P(1) atom. In the second S site, S(2) is bonded to one Li(11), one Li(3), one Zn(1), and one P(2) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra, corners with two equivalent S(23)Li3P tetrahedra, and corners with two equivalent S(8)Li3P tetrahedra. In the third S site, S(3) is bonded to one Li(12), one Li(2), one Li(4), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra,  a cornercorner with one S(16)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, and corners with two equivalent S(24)Li3P tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(10), one Zn(2), and one P(4) atom to form corner-sharing SLi2ZnP tetrahedra. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(3), one Zn(1), and one P(5) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(6) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Li(5), one Li(7), and one P(1) atom. In the eighth S site, S(8) is bonded to one Li(11), one Li(6), one Li(8), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra, corners with two equivalent S(2)Li2ZnP tetrahedra, and corners with two equivalent S(23)Li3P tetrahedra. In the ninth S site, S(9) is bonded to one Li(12), one Li(9), one Zn(3), and one P(3) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(18)Li2ZnP tetrahedra,  a cornercorner with one S(16)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, corners with two equivalent S(24)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. In the tenth S site, S(10) is bonded to one Li(10), one Li(5), one Li(7), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(24)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(16)Li3P tetrahedra, and corners with two equivalent S(19)Li3P tetrahedra. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Li(6), one Li(8), and one P(5) atom. In the twelfth S site, S(12) is bonded in a trigonal non-coplanar geometry to one Li(9), one Zn(3), and one P(6) atom. In the thirteenth S site, S(13) is bonded in a trigonal planar geometry to one Li(7), one Zn(2), and one P(1) atom. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(8), and one P(2) atom. In the fifteenth S site, S(15) is bonded to one Li(10), one Li(4), one Li(9), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(19)Li3P tetrahedra, corners with two equivalent S(24)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded to one Li(1), one Li(12), one Li(5), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(10)Li3P tetrahedra, corners with two equivalent S(19)Li3P tetrahedra, and corners with two equivalent S(24)Li3P tetrahedra. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Li(6), one Zn(1), and one P(5) atom. In the eighteenth S site, S(18) is bonded to one Li(11), one Li(2), one Zn(3), and one P(6) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(2)Li2ZnP tetrahedra,  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and corners with two equivalent S(23)Li3P tetrahedra. In the nineteenth S site, S(19) is bonded to one Li(1), one Li(10), one Li(5), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(9)Li2ZnP tetrahedra,  a cornercorner with one S(3)Li3P tetrahedra, corners with two equivalent S(4)Li2ZnP tetrahedra, corners with two equivalent S(10)Li3P tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, and corners with two equivalent S(16)Li3P tetrahedra. In the twentieth S site, S(20) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(1), and one P(1) atom. In the twenty-first S site, S(21) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(3), and one P(2) atom. In the twenty-second S site, S(22) is bonded in a trigonal non-coplanar geometry to one Li(7), one Zn(2), and one P(5) atom. In the twenty-third S site, S(23) is bonded to one Li(11), one Li(3), one Li(8), and one P(6) atom to form SLi3P tetrahedra that share corners with two equivalent S(18)Li2ZnP tetrahedra, corners with two equivalent S(2)Li2ZnP tetrahedra, and corners with two equivalent S(8)Li3P tetrahedra. In the twenty-fourth S site, S(24) is bonded to one Li(12), one Li(4), one Li(9), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(4)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra, corners with two equivalent S(9)Li2ZnP tetrahedra, corners with two equivalent S(15)Li3P tetrahedra, corners with two equivalent S(16)Li3P tetrahedra, and corners with two equivalent S(3)Li3P tetrahedra. is represented by the CIF card [CIF]
data_Li4Zn(PS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.140
_cell_length_b   8.092
_cell_length_c   19.099
_cell_angle_alpha   90.128
_cell_angle_beta   90.129
_cell_angle_gamma   90.102
_symmetry_Int_Tables_number   1
_cell_volume   948.970
_cell_formula_units_Z   3
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  0.992  0.756  0.106  1.0
  Li  Li1  1  0.999  0.759  0.764  1.0
  Li  Li2  1  0.490  0.756  0.566  1.0
  Li  Li3  1  0.497  0.746  0.894  1.0
  Li  Li4  1  0.999  0.250  0.111  1.0
  Li  Li5  1  0.999  0.251  0.428  1.0
  Li  Li6  1  0.497  0.257  0.243  1.0
  Li  Li7  1  0.500  0.243  0.558  1.0
  Li  Li8  1  0.490  0.256  0.894  1.0
  Li  Li9  1  0.488  0.008  0.055  1.0
  Li  Li10  1  0.991  0.492  0.612  1.0
  Li  Li11  1  0.991  0.506  0.948  1.0
  Zn  Zn12  1  0.002  0.761  0.435  1.0
  Zn  Zn13  1  0.502  0.741  0.237  1.0
  Zn  Zn14  1  0.999  0.230  0.764  1.0
  P  P15  1  0.990  0.987  0.272  1.0
  P  P16  1  0.012  0.009  0.604  1.0
  P  P17  1  0.004  0.998  0.938  1.0
  P  P18  1  0.504  0.498  0.063  1.0
  P  P19  1  0.491  0.516  0.397  1.0
  P  P20  1  0.485  0.490  0.726  1.0
  S  S21  1  0.884  0.767  0.228  1.0
  S  S22  1  0.892  0.791  0.557  1.0
  S  S23  1  0.893  0.789  0.889  1.0
  S  S24  1  0.394  0.713  0.112  1.0
  S  S25  1  0.386  0.734  0.442  1.0
  S  S26  1  0.389  0.701  0.773  1.0
  S  S27  1  0.883  0.200  0.230  1.0
  S  S28  1  0.898  0.215  0.554  1.0
  S  S29  1  0.892  0.211  0.887  1.0
  S  S30  1  0.395  0.291  0.113  1.0
  S  S31  1  0.389  0.299  0.438  1.0
  S  S32  1  0.383  0.270  0.771  1.0
  S  S33  1  0.327  0.991  0.261  1.0
  S  S34  1  0.339  0.005  0.611  1.0
  S  S35  1  0.339  0.000  0.936  1.0
  S  S36  1  0.839  0.500  0.065  1.0
  S  S37  1  0.829  0.515  0.402  1.0
  S  S38  1  0.831  0.487  0.735  1.0
  S  S39  1  0.894  0.007  0.040  1.0
  S  S40  1  0.882  0.994  0.375  1.0
  S  S41  1  0.866  0.002  0.703  1.0
  S  S42  1  0.373  0.511  0.295  1.0
  S  S43  1  0.398  0.493  0.623  1.0
  S  S44  1  0.394  0.503  0.961  1.0
[/CIF]
.