LiSnP2O7 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(10), one O(2), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-78°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(14), one O(3), and one O(9) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Sn site, Sn(2) is bonded to one O(11), one O(12), one O(14), one O(2), one O(4), and one O(6) atom to form distorted SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-59°. In the second P site, P(2) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-63°. In the third P site, P(3) is bonded to one O(13), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-52°. In the fourth P site, P(4) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(4) 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(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(1) atom.
LiSnP2O7 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(10), one O(2), one O(5), and one O(6) atom to form LiO4 trigonal pyramids that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 69-78°. The Li(1)-O(10) bond length is 1.96 Å. The Li(1)-O(2) bond length is 1.95 Å. The Li(1)-O(5) bond length is 1.94 Å. The Li(1)-O(6) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(14), one O(3), and one O(9) atom. The Li(2)-O(1) bond length is 2.10 Å. The Li(2)-O(12) bond length is 2.18 Å. The Li(2)-O(14) bond length is 2.04 Å. The Li(2)-O(3) bond length is 2.21 Å. The Li(2)-O(9) bond length is 2.61 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The Sn(1)-O(1) bond length is 2.57 Å. The Sn(1)-O(10) bond length is 2.36 Å. The Sn(1)-O(3) bond length is 2.17 Å. The Sn(1)-O(5) bond length is 2.35 Å. The Sn(1)-O(7) bond length is 2.14 Å. The Sn(1)-O(9) bond length is 2.25 Å. In the second Sn site, Sn(2) is bonded to one O(11), one O(12), one O(14), one O(2), one O(4), and one O(6) atom to form distorted SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Sn(2)-O(11) bond length is 2.11 Å. The Sn(2)-O(12) bond length is 2.32 Å. The Sn(2)-O(14) bond length is 2.60 Å. The Sn(2)-O(2) bond length is 2.29 Å. The Sn(2)-O(4) bond length is 2.21 Å. The Sn(2)-O(6) bond length is 2.29 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-59°. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(14) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.62 Å. In the second P site, P(2) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-63°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(12) bond length is 1.54 Å. The P(2)-O(13) bond length is 1.63 Å. The P(2)-O(5) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(13), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 25-52°. The P(3)-O(13) bond length is 1.62 Å. The P(3)-O(3) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.52 Å. The P(3)-O(9) bond length is 1.54 Å. In the fourth P site, P(4) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-51°. The P(4)-O(11) bond length is 1.53 Å. The P(4)-O(4) bond length is 1.54 Å. The P(4)-O(7) bond length is 1.54 Å. The P(4)-O(8) bond length is 1.60 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Sn(1), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sn(2) and one P(4) 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(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Sn(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(2), one Sn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(1) atom.