LiCr(MoO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-45°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 39-62°. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(2) atom.
LiCr(MoO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO5 square pyramids that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(5) bond length is 2.24 Å. The Li(1)-O(6) bond length is 2.26 Å. The Li(1)-O(7) bond length is 2.14 Å. The Li(1)-O(8) bond length is 2.01 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 19-45°. The Mo(1)-O(3) bond length is 1.81 Å. The Mo(1)-O(4) bond length is 1.79 Å. The Mo(1)-O(6) bond length is 1.82 Å. The Mo(1)-O(7) bond length is 1.77 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(5), and one O(8) atom to form distorted MoO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 39-62°. The Mo(2)-O(1) bond length is 1.91 Å. The Mo(2)-O(2) bond length is 1.74 Å. The Mo(2)-O(5) bond length is 1.88 Å. The Mo(2)-O(8) bond length is 1.74 Å. Cr(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms to form CrO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The Cr(1)-O(3) bond length is 2.01 Å. The Cr(1)-O(4) bond length is 2.00 Å. The Cr(1)-O(5) bond length is 2.00 Å. The Cr(1)-O(6) bond length is 2.01 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Cr(1)-O(1) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Li(1) and one Mo(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mo(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Mo(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(2) atom.