LiSbP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Sb(1)O6 octahedra. Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-57°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) 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 Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Sb(1) and one P(1) atom.
LiSbP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Sb(1)O6 octahedra. The Li(1)-O(1) bond length is 2.22 Å. The Li(1)-O(2) bond length is 2.26 Å. The Li(1)-O(4) bond length is 1.95 Å. The Li(1)-O(5) bond length is 2.17 Å. The Li(1)-O(6) bond length is 2.16 Å. Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form distorted SbO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The Sb(1)-O(1) bond length is 2.56 Å. The Sb(1)-O(2) bond length is 2.11 Å. The Sb(1)-O(5) bond length is 2.16 Å. The Sb(1)-O(6) bond length is 2.20 Å. There is one shorter (2.37 Å) and one longer (2.54 Å) Sb(1)-O(7) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-51°. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.63 Å. The P(1)-O(4) bond length is 1.49 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-57°. The P(2)-O(1) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.57 Å. The P(2)-O(6) bond length is 1.55 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sb(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(1) 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 Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Sb(1) and one P(1) atom.