LiCr2P3O13 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a linear geometry to two equivalent O(6) atoms. Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom.
LiCr2P3O13 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a linear geometry to two equivalent O(6) atoms. Both Li(1)-O(6) bond lengths are 2.52 Å. Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Cr(1)-O(1) bond length is 2.29 Å. The Cr(1)-O(2) bond length is 1.90 Å. The Cr(1)-O(3) bond length is 1.91 Å. The Cr(1)-O(4) bond length is 1.92 Å. The Cr(1)-O(5) bond length is 1.59 Å. The Cr(1)-O(6) bond length is 1.97 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(4) atoms. Both P(1)-O(2) bond lengths are 1.54 Å. Both P(1)-O(4) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(1) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.62 Å. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one P(2) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Cr(1) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom.