LiSn(PO3)4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(18), one O(20), one O(24), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(23) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(12), one O(17), one O(18), one O(2), one O(21), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(13), one O(20), one O(23), one O(4), one O(7), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(19), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-55°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. In the third P site, P(3) is bonded to one O(11), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. In the fifth P site, P(5) is bonded to one O(11), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-56°. In the sixth P site, P(6) is bonded to one O(14), one O(16), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-56°. In the seventh P site, P(7) is bonded to one O(19), one O(21), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. In the eighth P site, P(8) is bonded to one O(12), one O(22), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one P(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(2), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Li(1) and one P(8) atom.
LiSn(PO3)4 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(18), one O(20), one O(24), one O(5), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The Li(1)-O(1) bond length is 2.12 Å. The Li(1)-O(18) bond length is 2.13 Å. The Li(1)-O(20) bond length is 2.15 Å. The Li(1)-O(24) bond length is 2.12 Å. The Li(1)-O(5) bond length is 2.20 Å. The Li(1)-O(7) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(2), and one O(23) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one Sn(2)O6 octahedra. The Li(2)-O(10) bond length is 2.15 Å. The Li(2)-O(12) bond length is 2.16 Å. The Li(2)-O(13) bond length is 2.17 Å. The Li(2)-O(15) bond length is 2.07 Å. The Li(2)-O(2) bond length is 2.12 Å. The Li(2)-O(23) bond length is 2.18 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(12), one O(17), one O(18), one O(2), one O(21), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The Sn(1)-O(12) bond length is 2.27 Å. The Sn(1)-O(17) bond length is 2.20 Å. The Sn(1)-O(18) bond length is 2.32 Å. The Sn(1)-O(2) bond length is 2.33 Å. The Sn(1)-O(21) bond length is 2.21 Å. The Sn(1)-O(5) bond length is 2.26 Å. In the second Sn site, Sn(2) is bonded to one O(13), one O(20), one O(23), one O(4), one O(7), and one O(8) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O6 octahedra. The Sn(2)-O(13) bond length is 2.26 Å. The Sn(2)-O(20) bond length is 2.25 Å. The Sn(2)-O(23) bond length is 2.30 Å. The Sn(2)-O(4) bond length is 2.19 Å. The Sn(2)-O(7) bond length is 2.33 Å. The Sn(2)-O(8) bond length is 2.20 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(19), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-55°. The P(1)-O(1) bond length is 1.47 Å. The P(1)-O(13) bond length is 1.53 Å. The P(1)-O(19) bond length is 1.63 Å. The P(1)-O(3) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(3) bond length is 1.60 Å. The P(2)-O(4) bond length is 1.50 Å. The P(2)-O(6) bond length is 1.60 Å. In the third P site, P(3) is bonded to one O(11), one O(18), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. The P(3)-O(11) bond length is 1.61 Å. The P(3)-O(18) bond length is 1.52 Å. The P(3)-O(8) bond length is 1.50 Å. The P(3)-O(9) bond length is 1.60 Å. In the fourth P site, P(4) is bonded to one O(10), one O(14), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. The P(4)-O(10) bond length is 1.48 Å. The P(4)-O(14) bond length is 1.62 Å. The P(4)-O(5) bond length is 1.53 Å. The P(4)-O(9) bond length is 1.63 Å. In the fifth P site, P(5) is bonded to one O(11), one O(15), one O(16), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-56°. The P(5)-O(11) bond length is 1.63 Å. The P(5)-O(15) bond length is 1.47 Å. The P(5)-O(16) bond length is 1.62 Å. The P(5)-O(20) bond length is 1.53 Å. In the sixth P site, P(6) is bonded to one O(14), one O(16), one O(17), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-56°. The P(6)-O(14) bond length is 1.60 Å. The P(6)-O(16) bond length is 1.60 Å. The P(6)-O(17) bond length is 1.50 Å. The P(6)-O(7) bond length is 1.52 Å. In the seventh P site, P(7) is bonded to one O(19), one O(21), one O(22), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-56°. The P(7)-O(19) bond length is 1.60 Å. The P(7)-O(21) bond length is 1.50 Å. The P(7)-O(22) bond length is 1.60 Å. The P(7)-O(23) bond length is 1.52 Å. In the eighth P site, P(8) is bonded to one O(12), one O(22), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. The P(8)-O(12) bond length is 1.53 Å. The P(8)-O(22) bond length is 1.63 Å. The P(8)-O(24) bond length is 1.47 Å. The P(8)-O(6) bond length is 1.63 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(6) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sn(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(2), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Li(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one P(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(2), and one P(5) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Sn(1) and one P(7) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one P(7) and one P(8) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Li(1) and one P(8) atom.