LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Sn(1), one Sn(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom.
LiSnPHO5 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.96 Å. The Li(1)-O(4) bond length is 2.28 Å. There is one shorter (2.17 Å) and one longer (2.58 Å) Li(1)-O(5) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. Both Sn(1)-O(1) bond lengths are 2.50 Å. Both Sn(1)-O(2) bond lengths are 2.47 Å. Both Sn(1)-O(3) bond lengths are 2.44 Å. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form SnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. Both Sn(2)-O(1) bond lengths are 2.06 Å. Both Sn(2)-O(4) bond lengths are 2.08 Å. Both Sn(2)-O(5) bond lengths are 2.18 Å. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Sn(1)O6 octahedra and corners with two equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.59 Å. The P(1)-O(5) bond length is 1.59 Å. H(1) is bonded in a distorted linear geometry to one O(1) and one O(2) atom. The H(1)-O(1) bond length is 1.02 Å. The H(1)-O(2) bond length is 1.63 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Li(1), one Sn(1), one Sn(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sn(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one Sn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(2), and one P(1) atom.