LiCr(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(6), one O(8), and one O(9) atom. Cr(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form CrO6 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, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one 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 are 50°. In the second P site, P(2) is bonded to one O(1), one O(2), 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(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-50°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one 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 are 40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Li(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 Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) 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.
LiCr(PO3)4 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(6), one O(8), and one O(9) atom. The Li(1)-O(6) bond length is 1.84 Å. The Li(1)-O(8) bond length is 1.91 Å. The Li(1)-O(9) bond length is 1.98 Å. Cr(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form CrO6 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, and corners with two equivalent P(3)O4 tetrahedra. The Cr(1)-O(11) bond length is 1.97 Å. The Cr(1)-O(12) bond length is 2.26 Å. The Cr(1)-O(2) bond length is 2.03 Å. The Cr(1)-O(3) bond length is 1.97 Å. The Cr(1)-O(4) bond length is 2.03 Å. The Cr(1)-O(9) bond length is 2.07 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one 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 are 50°. The P(1)-O(1) bond length is 1.60 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(5) bond length is 1.64 Å. The P(1)-O(6) bond length is 1.48 Å. In the second P site, P(2) is bonded to one O(1), one O(2), 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(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-37°. The P(2)-O(1) bond length is 1.60 Å. The P(2)-O(2) bond length is 1.50 Å. The P(2)-O(4) bond length is 1.51 Å. The P(2)-O(7) bond length is 1.61 Å. In the third P site, P(3) is bonded to one O(10), one O(12), one O(5), and one O(9) 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-50°. The P(3)-O(10) bond length is 1.59 Å. The P(3)-O(12) bond length is 1.50 Å. The P(3)-O(5) bond length is 1.61 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one 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 are 40°. The P(4)-O(10) bond length is 1.61 Å. The P(4)-O(11) bond length is 1.51 Å. The P(4)-O(7) bond length is 1.62 Å. The P(4)-O(8) bond length is 1.48 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Li(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 Cr(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(4) 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.