LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. 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 distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to 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(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.
LiCrP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms. The Li(1)-O(1) bond length is 2.53 Å. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(4) bond length is 2.13 Å. The Li(1)-O(6) bond length is 2.57 Å. There is one shorter (2.25 Å) and one longer (2.69 Å) Li(1)-O(5) bond length. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The Cr(1)-O(1) bond length is 2.03 Å. The Cr(1)-O(2) bond length is 2.06 Å. The Cr(1)-O(3) bond length is 1.98 Å. The Cr(1)-O(4) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.15 Å. The Cr(1)-O(6) bond length is 1.98 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(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-54°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(7) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.59 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 distorted T-shaped geometry to one Li(1), one Cr(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to 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(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Cr(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom.