Li7Cr5O12 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with four equivalent O(4)Li3Cr3 octahedra, and edges with five equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with four equivalent O(3)Li4Cr2 octahedra, and edges with five equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with eight equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, and edges with eight equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Li7Cr5O12 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.12 Å. Both Li(1)-O(1) bond lengths are 2.19 Å. Both Li(1)-O(2) bond lengths are 2.20 Å. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(2)-O(3) bond length is 2.19 Å. The Li(2)-O(4) bond length is 2.15 Å. There is one shorter (2.17 Å) and one longer (2.18 Å) Li(2)-O(1) bond length. There is one shorter (2.00 Å) and one longer (2.20 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. Both Li(3)-O(3) bond lengths are 2.12 Å. All Li(3)-O(2) bond lengths are 2.17 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, edges with three equivalent Cr(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. Both Cr(1)-O(3) bond lengths are 1.95 Å. There are two shorter (1.94 Å) and two longer (1.95 Å) Cr(1)-O(2) bond lengths. In the second Cr site, Cr(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. Both Cr(2)-O(4) bond lengths are 2.03 Å. All Cr(2)-O(1) bond lengths are 2.02 Å. In the third Cr site, Cr(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Cr(2)O6 octahedra, edges with three equivalent Cr(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. Both Cr(3)-O(4) bond lengths are 2.04 Å. All Cr(3)-O(1) bond lengths are 2.01 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, edges with four equivalent O(4)Li3Cr3 octahedra, and edges with five equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, edges with four equivalent O(3)Li4Cr2 octahedra, and edges with five equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(1)Li3Cr3 octahedra, and edges with eight equivalent O(2)Li4Cr2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(4)Li3Cr3 octahedra,  a cornercorner with one O(3)Li4Cr2 octahedra, corners with two equivalent O(1)Li3Cr3 octahedra, corners with two equivalent O(2)Li4Cr2 octahedra,  an edgeedge with one O(4)Li3Cr3 octahedra,  an edgeedge with one O(3)Li4Cr2 octahedra, edges with two equivalent O(2)Li4Cr2 octahedra, and edges with eight equivalent O(1)Li3Cr3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.