LiCr4In4O12 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-71°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the third Cr site, Cr(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the fourth Cr site, Cr(4) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and one O(9) atom. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the third In site, In(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(2), one In(3), and one In(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(1), and one In(2) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Cr(3), one In(3), and one In(4) atom. In the seventh O site, O(7) is bonded to one Cr(3), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(3), and one In(4) atom. In the tenth O site, O(10) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OCr2In2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Cr(2), one Cr(4), one In(3), and one In(4) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Cr(1), one Cr(2), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids.
LiCr4In4O12 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-71°. The Li(1)-O(1) bond length is 1.86 Å. The Li(1)-O(2) bond length is 1.99 Å. The Li(1)-O(6) bond length is 1.84 Å. The Li(1)-O(9) bond length is 1.90 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. The Cr(1)-O(1) bond length is 2.24 Å. The Cr(1)-O(10) bond length is 2.03 Å. The Cr(1)-O(12) bond length is 2.17 Å. The Cr(1)-O(3) bond length is 1.99 Å. The Cr(1)-O(5) bond length is 2.04 Å. The Cr(1)-O(8) bond length is 2.04 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. The Cr(2)-O(1) bond length is 2.19 Å. The Cr(2)-O(11) bond length is 1.99 Å. The Cr(2)-O(12) bond length is 2.15 Å. The Cr(2)-O(2) bond length is 2.05 Å. The Cr(2)-O(4) bond length is 2.01 Å. The Cr(2)-O(9) bond length is 2.03 Å. In the third Cr site, Cr(3) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and  a cornercorner with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-44°. The Cr(3)-O(10) bond length is 2.03 Å. The Cr(3)-O(3) bond length is 2.00 Å. The Cr(3)-O(5) bond length is 2.06 Å. The Cr(3)-O(6) bond length is 2.03 Å. The Cr(3)-O(7) bond length is 2.00 Å. The Cr(3)-O(8) bond length is 2.08 Å. In the fourth Cr site, Cr(4) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(4), one O(7), and one O(9) atom. The Cr(4)-O(11) bond length is 2.00 Å. The Cr(4)-O(2) bond length is 2.11 Å. The Cr(4)-O(4) bond length is 2.03 Å. The Cr(4)-O(7) bond length is 2.17 Å. The Cr(4)-O(9) bond length is 2.15 Å. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The In(1)-O(12) bond length is 2.28 Å. The In(1)-O(2) bond length is 2.22 Å. The In(1)-O(3) bond length is 2.23 Å. The In(1)-O(4) bond length is 2.38 Å. The In(1)-O(5) bond length is 2.30 Å. The In(1)-O(7) bond length is 2.14 Å. In the second In site, In(2) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The In(2)-O(12) bond length is 2.18 Å. The In(2)-O(2) bond length is 2.45 Å. The In(2)-O(3) bond length is 2.30 Å. The In(2)-O(4) bond length is 2.17 Å. The In(2)-O(5) bond length is 2.23 Å. The In(2)-O(7) bond length is 2.22 Å. In the third In site, In(3) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. The In(3)-O(1) bond length is 2.22 Å. The In(3)-O(10) bond length is 2.23 Å. The In(3)-O(11) bond length is 2.22 Å. The In(3)-O(6) bond length is 2.18 Å. The In(3)-O(8) bond length is 2.22 Å. The In(3)-O(9) bond length is 2.56 Å. In the fourth In site, In(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. The In(4)-O(1) bond length is 2.40 Å. The In(4)-O(10) bond length is 2.17 Å. The In(4)-O(11) bond length is 2.24 Å. The In(4)-O(6) bond length is 2.16 Å. The In(4)-O(8) bond length is 2.30 Å. The In(4)-O(9) bond length is 2.24 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), one Cr(2), one In(3), and one In(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(1), and one In(2) atom. In the third O site, O(3) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(2), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(3), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Cr(3), one In(3), and one In(4) atom. In the seventh O site, O(7) is bonded to one Cr(3), one Cr(4), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Cr(2), one Cr(4), one In(3), and one In(4) atom. In the tenth O site, O(10) is bonded to one Cr(1), one Cr(3), one In(3), and one In(4) atom to form a mixture of corner and edge-sharing OCr2In2 trigonal pyramids. In the eleventh O site, O(11) is bonded to one Cr(2), one Cr(4), one In(3), and one In(4) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Cr(1), one Cr(2), one In(1), and one In(2) atom to form a mixture of distorted corner and edge-sharing OCr2In2 trigonal pyramids.