LiCrPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one P(1) atom to form corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.
LiCrPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(2) atoms. The Li(1)-O(4) bond length is 2.04 Å. There is one shorter (2.02 Å) and one longer (2.10 Å) Li(1)-O(2) bond length. Cr(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Cr(1)-O(2) bond length is 2.16 Å. The Cr(1)-O(3) bond length is 2.40 Å. The Cr(1)-O(4) bond length is 2.04 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Cr(1)-O(1) bond length. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.59 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one P(1) atom to form corner-sharing OLi2CrP tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.