LiCrPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and corners with three equivalent P(1)O4 tetrahedra. Cr(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.
LiCrPH2O5 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and corners with three equivalent P(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(3) bond length is 1.94 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-O(5) bond length is 1.97 Å. Cr(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The Cr(1)-O(3) bond length is 2.05 Å. The Cr(1)-O(4) bond length is 2.25 Å. The Cr(1)-O(5) bond length is 2.10 Å. There is one shorter (2.08 Å) and one longer (2.41 Å) Cr(1)-O(2) bond length. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O5 square pyramid. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.55 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.99 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom.