Li2CrP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Cr(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms.
Li2CrP2O7 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Li(1)-O(2) bond length is 2.09 Å. There is one shorter (1.97 Å) and one longer (2.02 Å) Li(1)-O(1) bond length. There is one shorter (2.30 Å) and one longer (2.61 Å) Li(1)-O(3) bond length. Cr(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Cr(1)-O(2) bond lengths are 2.01 Å. Both Cr(1)-O(3) bond lengths are 2.06 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.64 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(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), one Cr(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms.