Li2Cr(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(6), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and one O(9) atom. Cr(1) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(14), one O(15), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the third P site, P(3) is bonded to one O(12), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)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 36-43°. In the fourth P site, P(4) is bonded to one O(5), one O(6), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. In the fifth P site, P(5) is bonded to one O(10), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(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 range from 47-48°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) 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 distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Li(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom.
Li2Cr(PO3)5 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(6), and one O(9) atom. The Li(1)-O(1) bond length is 1.95 Å. The Li(1)-O(6) bond length is 1.90 Å. The Li(1)-O(9) bond length is 1.90 Å. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and one O(9) atom. The Li(2)-O(1) bond length is 1.86 Å. The Li(2)-O(11) bond length is 1.89 Å. The Li(2)-O(9) bond length is 1.93 Å. Cr(1) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. The Cr(1)-O(10) bond length is 2.07 Å. The Cr(1)-O(12) bond length is 1.97 Å. The Cr(1)-O(15) bond length is 1.96 Å. The Cr(1)-O(2) bond length is 2.05 Å. The Cr(1)-O(3) bond length is 2.08 Å. The Cr(1)-O(7) bond length is 2.08 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(11), one O(14), and one O(8) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(11) bond length is 1.48 Å. The P(1)-O(14) bond length is 1.63 Å. The P(1)-O(8) bond length is 1.60 Å. In the second P site, P(2) is bonded to one O(14), one O(15), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. The P(2)-O(14) bond length is 1.58 Å. The P(2)-O(15) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.51 Å. The P(2)-O(4) bond length is 1.62 Å. In the third P site, P(3) is bonded to one O(12), one O(13), one O(2), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)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 36-43°. The P(3)-O(12) bond length is 1.51 Å. The P(3)-O(13) bond length is 1.62 Å. The P(3)-O(2) bond length is 1.51 Å. The P(3)-O(5) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(5), one O(6), one O(8), and one O(9) atom to form corner-sharing PO4 tetrahedra. The P(4)-O(5) bond length is 1.64 Å. The P(4)-O(6) bond length is 1.48 Å. The P(4)-O(8) bond length is 1.60 Å. The P(4)-O(9) bond length is 1.50 Å. In the fifth P site, P(5) is bonded to one O(10), one O(13), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cr(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 range from 47-48°. The P(5)-O(10) bond length is 1.51 Å. The P(5)-O(13) bond length is 1.62 Å. The P(5)-O(4) bond length is 1.62 Å. The P(5)-O(7) bond length is 1.51 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) 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 distorted trigonal planar geometry to one Li(1), one Li(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(5) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Li(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom.