Li2CrCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form distorted edge-sharing OLi2CrC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form distorted edge-sharing OLi2CrC tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one As(1) atom.
Li2CrCAsO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.28 Å. The Li(1)-O(3) bond length is 2.30 Å. The Li(1)-O(4) bond length is 2.25 Å. The Li(1)-O(6) bond length is 2.12 Å. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. The Cr(1)-O(2) bond length is 2.04 Å. The Cr(1)-O(3) bond length is 2.07 Å. The Cr(1)-O(4) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.02 Å. Both Cr(1)-O(6) bond lengths are 1.98 Å. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.32 Å. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. The As(1)-O(4) bond length is 1.73 Å. The As(1)-O(5) bond length is 1.73 Å. Both As(1)-O(6) bond lengths are 1.70 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form distorted edge-sharing OLi2CrC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Li(1), one Cr(1), and one C(1) atom to form distorted edge-sharing OLi2CrC tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one As(1) atom.