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(11), one S(13), and one S(23) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)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,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(14), one S(19), one S(2), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(3)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, and  a cornercorner with one P(6)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(15), one S(20), one S(3), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)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 Li(9)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, and  a cornercorner with one P(5)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(10), one S(18), one S(22), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(10), one S(13), one S(24), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(4)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,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the sixth Li site, Li(6) is bonded to one S(11), one S(15), one S(19), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(1), one S(16), one S(20), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(17), one S(22), one S(3), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)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(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the ninth Li site, Li(9) is bonded to one S(18), one S(2), one S(21), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)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 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, and  a cornercorner with one P(6)S4 tetrahedra. In the tenth Li site, Li(10) is bonded to one S(13), one S(19), one S(6), and one S(8) atom to form distorted 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(3)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(9)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one S(1), one S(10), one S(15), and one S(21) 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(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,  a cornercorner with one Li(9)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, and  a cornercorner with one P(4)S4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one S(12), one S(16), one S(2), and one S(22) atom to form distorted 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(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one Zn(3)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, and  a cornercorner with one P(6)S4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(16), one S(21), one S(4), 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 Li(5)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(12), one S(17), one S(24), and one S(5) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(12)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(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the third Zn site, Zn(3) is bonded to one S(12), one S(14), one S(23), and one S(6) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)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,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one S(13), one S(21), 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(10)S4 tetrahedra,  a cornercorner with one Li(11)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(7)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(2)S4 tetrahedra. In the second P site, P(2) is bonded to one S(1), one S(14), one S(22), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)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 Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the third P site, P(3) is bonded to one S(15), one S(2), one S(24), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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 Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(2)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(23), and one S(3) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the fifth P site, P(5) is bonded to one S(11), one S(17), one S(20), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  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 Li(8)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the sixth P site, P(6) is bonded to one S(12), one S(18), one S(19), and one S(4) atom to form PS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)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(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(11), one Li(7), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the second S site, S(2) is bonded to one Li(12), one Li(2), one Li(9), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(8), and one P(4) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(5), one Zn(1), and one P(6) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(2), and one P(1) atom. In the sixth S site, S(6) is bonded to one Li(10), one Li(4), one Zn(3), and one P(5) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(7), and one P(1) atom. In the eighth S site, S(8) is bonded to one Li(10), one Li(3), one Li(9), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the ninth S site, S(9) is bonded in a trigonal non-coplanar geometry to one Li(8), one Zn(1), and one P(3) atom. In the tenth S site, S(10) is bonded to one Li(11), one Li(4), one Li(5), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(6), and one P(5) atom. In the twelfth S site, S(12) is bonded to one Li(12), one Zn(2), one Zn(3), and one P(6) atom to form SLiZn2P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the thirteenth S site, S(13) is bonded to one Li(1), one Li(10), one Li(5), and one P(1) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(3), and one P(2) atom. In the fifteenth S site, S(15) is bonded to one Li(11), one Li(3), one Li(6), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded to one Li(12), one Li(7), one Zn(1), and one P(4) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Li(8), one Zn(2), and one P(5) atom. In the eighteenth S site, S(18) is bonded in a trigonal non-coplanar geometry to one Li(4), one Li(9), and one P(6) atom. In the nineteenth S site, S(19) is bonded to one Li(10), one Li(2), one Li(6), and one P(6) atom to form SLi3P tetrahedra that share  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the twentieth S site, S(20) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(7), and one P(5) atom. In the twenty-first S site, S(21) is bonded to one Li(11), one Li(9), one Zn(1), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the twenty-second S site, S(22) is bonded to one Li(12), one Li(4), one Li(8), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one Li(1), one Zn(3), and one P(4) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to one Li(5), one Zn(2), and one P(3) 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   10.248
_cell_length_b   10.278
_cell_length_c   10.281
_cell_angle_alpha   77.306
_cell_angle_beta   65.778
_cell_angle_gamma   75.169
_symmetry_Int_Tables_number   1
_cell_volume   946.537
_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  0.597  0.239  0.315  1.0
  Li  Li1  1  0.423  0.755  0.666  1.0
  Li  Li2  1  0.241  0.250  0.997  1.0
  Li  Li3  1  0.912  0.255  0.683  1.0
  Li  Li4  1  0.832  0.499  0.334  1.0
  Li  Li5  1  0.503  0.498  0.995  1.0
  Li  Li6  1  0.348  0.991  0.321  1.0
  Li  Li7  1  0.994  0.007  0.011  1.0
  Li  Li8  1  0.166  0.510  0.668  1.0
  Li  Li9  1  0.543  0.375  0.656  1.0
  Li  Li10  1  0.208  0.364  0.332  1.0
  Li  Li11  1  0.049  0.885  0.678  1.0
  Zn  Zn12  1  0.084  0.753  0.332  1.0
  Zn  Zn13  1  0.740  0.750  0.012  1.0
  Zn  Zn14  1  0.660  0.000  0.668  1.0
  P  P15  1  0.461  0.623  0.332  1.0
  P  P16  1  0.297  0.132  0.660  1.0
  P  P17  1  0.119  0.630  0.006  1.0
  P  P18  1  0.958  0.122  0.344  1.0
  P  P19  1  0.614  0.123  0.997  1.0
  P  P20  1  0.798  0.622  0.664  1.0
  S  S21  1  0.361  0.168  0.439  1.0
  S  S22  1  0.190  0.680  0.785  1.0
  S  S23  1  0.012  0.172  0.131  1.0
  S  S24  1  0.856  0.681  0.445  1.0
  S  S25  1  0.519  0.673  0.112  1.0
  S  S26  1  0.687  0.170  0.770  1.0
  S  S27  1  0.465  0.781  0.414  1.0
  S  S28  1  0.301  0.297  0.739  1.0
  S  S29  1  0.133  0.794  0.083  1.0
  S  S30  1  0.962  0.285  0.428  1.0
  S  S31  1  0.639  0.283  0.063  1.0
  S  S32  1  0.796  0.794  0.751  1.0
  S  S33  1  0.591  0.451  0.390  1.0
  S  S34  1  0.424  0.965  0.732  1.0
  S  S35  1  0.254  0.461  0.061  1.0
  S  S36  1  0.096  0.952  0.407  1.0
  S  S37  1  0.757  0.958  0.053  1.0
  S  S38  1  0.929  0.467  0.732  1.0
  S  S39  1  0.593  0.579  0.738  1.0
  S  S40  1  0.415  0.076  0.071  1.0
  S  S41  1  0.251  0.575  0.406  1.0
  S  S42  1  0.091  0.084  0.751  1.0
  S  S43  1  0.755  0.069  0.419  1.0
  S  S44  1  0.916  0.579  0.077  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(11), one S(13), and one S(23) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)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,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the second Li site, Li(2) is bonded to one S(14), one S(19), one S(2), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(6)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(3)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, and  a cornercorner with one P(6)S4 tetrahedra. In the third Li site, Li(3) is bonded to one S(15), one S(20), one S(3), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)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 Li(9)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, and  a cornercorner with one P(5)S4 tetrahedra. In the fourth Li site, Li(4) is bonded to one S(10), one S(18), one S(22), and one S(6) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the fifth Li site, Li(5) is bonded to one S(10), one S(13), one S(24), and one S(4) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(4)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,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the sixth Li site, Li(6) is bonded to one S(11), one S(15), one S(19), and one S(5) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the seventh Li site, Li(7) is bonded to one S(1), one S(16), one S(20), and one S(7) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the eighth Li site, Li(8) is bonded to one S(17), one S(22), one S(3), and one S(9) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)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(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(5)S4 tetrahedra. In the ninth Li site, Li(9) is bonded to one S(18), one S(2), one S(21), and one S(8) atom to form LiS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)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 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, and  a cornercorner with one P(6)S4 tetrahedra. In the tenth Li site, Li(10) is bonded to one S(13), one S(19), one S(6), and one S(8) atom to form distorted 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(3)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(9)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(2)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the eleventh Li site, Li(11) is bonded to one S(1), one S(10), one S(15), and one S(21) 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(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,  a cornercorner with one Li(9)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, and  a cornercorner with one P(4)S4 tetrahedra. In the twelfth Li site, Li(12) is bonded to one S(12), one S(16), one S(2), and one S(22) atom to form distorted 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(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra,  a cornercorner with one Zn(3)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, and  a cornercorner with one P(6)S4 tetrahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(16), one S(21), one S(4), 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 Li(5)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(4)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the second Zn site, Zn(2) is bonded to one S(12), one S(17), one S(24), and one S(5) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(12)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(3)S4 tetrahedra,  a cornercorner with one P(1)S4 tetrahedra,  a cornercorner with one P(3)S4 tetrahedra,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. In the third Zn site, Zn(3) is bonded to one S(12), one S(14), one S(23), and one S(6) atom to form ZnS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(4)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,  a cornercorner with one P(5)S4 tetrahedra, and  a cornercorner with one P(6)S4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one S(13), one S(21), 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(10)S4 tetrahedra,  a cornercorner with one Li(11)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(7)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(2)S4 tetrahedra. In the second P site, P(2) is bonded to one S(1), one S(14), one S(22), and one S(8) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)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 Li(8)S4 tetrahedra,  a cornercorner with one Li(9)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the third P site, P(3) is bonded to one S(15), one S(2), one S(24), and one S(9) atom to form PS4 tetrahedra that share  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(2)S4 tetrahedra,  a cornercorner with one Li(3)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 Li(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(2)S4 tetrahedra. In the fourth P site, P(4) is bonded to one S(10), one S(16), one S(23), and one S(3) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(11)S4 tetrahedra,  a cornercorner with one Li(12)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  a cornercorner with one Li(4)S4 tetrahedra,  a cornercorner with one Li(5)S4 tetrahedra,  a cornercorner with one Li(7)S4 tetrahedra,  a cornercorner with one Li(8)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the fifth P site, P(5) is bonded to one S(11), one S(17), one S(20), and one S(6) atom to form PS4 tetrahedra that share  a cornercorner with one Li(1)S4 tetrahedra,  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(3)S4 tetrahedra,  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 Li(8)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. In the sixth P site, P(6) is bonded to one S(12), one S(18), one S(19), and one S(4) atom to form PS4 tetrahedra that share  a cornercorner with one Li(10)S4 tetrahedra,  a cornercorner with one Li(12)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(9)S4 tetrahedra,  a cornercorner with one Zn(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, and  a cornercorner with one Zn(3)S4 tetrahedra. There are twenty-four inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(11), one Li(7), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the second S site, S(2) is bonded to one Li(12), one Li(2), one Li(9), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(8), and one P(4) atom. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Li(5), one Zn(1), and one P(6) atom. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Li(6), one Zn(2), and one P(1) atom. In the sixth S site, S(6) is bonded to one Li(10), one Li(4), one Zn(3), and one P(5) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(7), and one P(1) atom. In the eighth S site, S(8) is bonded to one Li(10), one Li(3), one Li(9), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the ninth S site, S(9) is bonded in a trigonal non-coplanar geometry to one Li(8), one Zn(1), and one P(3) atom. In the tenth S site, S(10) is bonded to one Li(11), one Li(4), one Li(5), and one P(4) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the eleventh S site, S(11) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(6), and one P(5) atom. In the twelfth S site, S(12) is bonded to one Li(12), one Zn(2), one Zn(3), and one P(6) atom to form SLiZn2P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(22)Li3P tetrahedra. In the thirteenth S site, S(13) is bonded to one Li(1), one Li(10), one Li(5), and one P(1) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the fourteenth S site, S(14) is bonded in a trigonal non-coplanar geometry to one Li(2), one Zn(3), and one P(2) atom. In the fifteenth S site, S(15) is bonded to one Li(11), one Li(3), one Li(6), and one P(3) atom to form SLi3P tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(19)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the sixteenth S site, S(16) is bonded to one Li(12), one Li(7), one Zn(1), and one P(4) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(21)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(22)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the seventeenth S site, S(17) is bonded in a trigonal planar geometry to one Li(8), one Zn(2), and one P(5) atom. In the eighteenth S site, S(18) is bonded in a trigonal non-coplanar geometry to one Li(4), one Li(9), and one P(6) atom. In the nineteenth S site, S(19) is bonded to one Li(10), one Li(2), one Li(6), and one P(6) atom to form SLi3P tetrahedra that share  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the twentieth S site, S(20) is bonded in a trigonal non-coplanar geometry to one Li(3), one Li(7), and one P(5) atom. In the twenty-first S site, S(21) is bonded to one Li(11), one Li(9), one Zn(1), and one P(1) atom to form SLi2ZnP tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(13)Li3P tetrahedra,  a cornercorner with one S(15)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra, and  a cornercorner with one S(8)Li3P tetrahedra. In the twenty-second S site, S(22) is bonded to one Li(12), one Li(4), one Li(8), and one P(2) atom to form SLi3P tetrahedra that share  a cornercorner with one S(16)Li2ZnP tetrahedra,  a cornercorner with one S(6)Li2ZnP tetrahedra,  a cornercorner with one S(1)Li3P tetrahedra,  a cornercorner with one S(10)Li3P tetrahedra,  a cornercorner with one S(2)Li3P tetrahedra,  a cornercorner with one S(8)Li3P tetrahedra, and  a cornercorner with one S(12)LiZn2P tetrahedra. In the twenty-third S site, S(23) is bonded in a trigonal non-coplanar geometry to one Li(1), one Zn(3), and one P(4) atom. In the twenty-fourth S site, S(24) is bonded in a trigonal non-coplanar geometry to one Li(5), one Zn(2), and one P(3) 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   10.248
_cell_length_b   10.278
_cell_length_c   10.281
_cell_angle_alpha   77.306
_cell_angle_beta   65.778
_cell_angle_gamma   75.169
_symmetry_Int_Tables_number   1
_cell_volume   946.537
_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  0.597  0.239  0.315  1.0
  Li  Li1  1  0.423  0.755  0.666  1.0
  Li  Li2  1  0.241  0.250  0.997  1.0
  Li  Li3  1  0.912  0.255  0.683  1.0
  Li  Li4  1  0.832  0.499  0.334  1.0
  Li  Li5  1  0.503  0.498  0.995  1.0
  Li  Li6  1  0.348  0.991  0.321  1.0
  Li  Li7  1  0.994  0.007  0.011  1.0
  Li  Li8  1  0.166  0.510  0.668  1.0
  Li  Li9  1  0.543  0.375  0.656  1.0
  Li  Li10  1  0.208  0.364  0.332  1.0
  Li  Li11  1  0.049  0.885  0.678  1.0
  Zn  Zn12  1  0.084  0.753  0.332  1.0
  Zn  Zn13  1  0.740  0.750  0.012  1.0
  Zn  Zn14  1  0.660  0.000  0.668  1.0
  P  P15  1  0.461  0.623  0.332  1.0
  P  P16  1  0.297  0.132  0.660  1.0
  P  P17  1  0.119  0.630  0.006  1.0
  P  P18  1  0.958  0.122  0.344  1.0
  P  P19  1  0.614  0.123  0.997  1.0
  P  P20  1  0.798  0.622  0.664  1.0
  S  S21  1  0.361  0.168  0.439  1.0
  S  S22  1  0.190  0.680  0.785  1.0
  S  S23  1  0.012  0.172  0.131  1.0
  S  S24  1  0.856  0.681  0.445  1.0
  S  S25  1  0.519  0.673  0.112  1.0
  S  S26  1  0.687  0.170  0.770  1.0
  S  S27  1  0.465  0.781  0.414  1.0
  S  S28  1  0.301  0.297  0.739  1.0
  S  S29  1  0.133  0.794  0.083  1.0
  S  S30  1  0.962  0.285  0.428  1.0
  S  S31  1  0.639  0.283  0.063  1.0
  S  S32  1  0.796  0.794  0.751  1.0
  S  S33  1  0.591  0.451  0.390  1.0
  S  S34  1  0.424  0.965  0.732  1.0
  S  S35  1  0.254  0.461  0.061  1.0
  S  S36  1  0.096  0.952  0.407  1.0
  S  S37  1  0.757  0.958  0.053  1.0
  S  S38  1  0.929  0.467  0.732  1.0
  S  S39  1  0.593  0.579  0.738  1.0
  S  S40  1  0.415  0.076  0.071  1.0
  S  S41  1  0.251  0.575  0.406  1.0
  S  S42  1  0.091  0.084  0.751  1.0
  S  S43  1  0.755  0.069  0.419  1.0
  S  S44  1  0.916  0.579  0.077  1.0
[/CIF]
.