Li2CrO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. In the third Li site, Li(3) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. Cr(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), three equivalent Li(3), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and three equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(1)Li4Cr2 octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-7°.
Li2CrO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Both Li(1)-O(1) bond lengths are 2.08 Å. There are two shorter (2.09 Å) and two longer (2.10 Å) Li(1)-O(3) bond lengths. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-9°. Both Li(2)-O(2) bond lengths are 2.12 Å. There are two shorter (2.06 Å) and two longer (2.10 Å) Li(2)-O(3) bond lengths. In the third Li site, Li(3) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. The Li(3)-O(3) bond length is 2.09 Å. Both Li(3)-O(2) bond lengths are 2.22 Å. There are a spread of Li(3)-O(1) bond distances ranging from 2.09-2.19 Å. Cr(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. The Cr(1)-O(3) bond length is 1.79 Å. There is one shorter (1.89 Å) and one longer (2.01 Å) Cr(1)-O(1) bond length. There are a spread of Cr(1)-O(2) bond distances ranging from 2.00-2.07 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), three equivalent Li(3), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and three equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(1)Li4Cr2 octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-7°.