LiCrPO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.
LiCrPO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(4) bond length is 2.26 Å. The Li(1)-O(5) bond length is 2.14 Å. There is one shorter (2.27 Å) and one longer (2.45 Å) Li(1)-O(3) bond length. Cr(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Cr(1)-O(1) bond length is 2.09 Å. The Cr(1)-O(2) bond length is 2.05 Å. The Cr(1)-O(4) bond length is 1.99 Å. The Cr(1)-O(5) bond length is 2.00 Å. There is one shorter (1.78 Å) and one longer (1.94 Å) Cr(1)-O(3) bond length. P(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.57 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.