LiFe2P3O10 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. In the second P site, P(2) is bonded to one O(3), one O(6), and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the third P site, P(3) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(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 120 degrees geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(2) atom.
LiFe2P3O10 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Li(1)-O(1) bond lengths are 2.05 Å. Both Li(1)-O(2) bond lengths are 2.11 Å. Fe(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. The Fe(1)-O(1) bond length is 2.12 Å. The Fe(1)-O(2) bond length is 2.15 Å. The Fe(1)-O(5) bond length is 2.19 Å. The Fe(1)-O(6) bond length is 2.21 Å. Both Fe(1)-O(7) bond lengths are 2.17 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(4) bond length is 1.61 Å. Both P(1)-O(2) bond lengths are 1.51 Å. In the second P site, P(2) is bonded to one O(3), one O(6), and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-56°. The P(2)-O(3) bond length is 1.62 Å. The P(2)-O(6) bond length is 1.53 Å. Both P(2)-O(7) bond lengths are 1.54 Å. In the third P site, P(3) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Fe(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-58°. The P(3)-O(4) bond length is 1.64 Å. The P(3)-O(5) bond length is 1.53 Å. Both P(3)-O(1) bond lengths are 1.54 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(1), and one P(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Fe(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 120 degrees geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(2) atom.