LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and corners with three equivalent Li(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent Cr(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one 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 one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom.
LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and  an edgeedge with one Cr(1)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 2.57 Å. The Li(1)-O(3) bond length is 2.24 Å. The Li(1)-O(4) bond length is 1.95 Å. The Li(1)-O(6) bond length is 2.26 Å. The Li(1)-O(7) bond length is 2.17 Å. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form CrO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(2) bond length is 1.95 Å. The Cr(1)-O(3) bond length is 2.03 Å. The Cr(1)-O(6) bond length is 1.97 Å. The Cr(1)-O(7) bond length is 2.01 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cr(1)O5 trigonal bipyramids, and corners with three equivalent Li(1)O5 trigonal bipyramids. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.48 Å. The P(1)-O(5) bond length is 1.67 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with three equivalent Cr(1)O5 trigonal bipyramids. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.61 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.53 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one 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 one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one P(2) atom.