Li2Cr2FeSbO8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(9), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded to one O(12), one O(7), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. In the third Cr site, Cr(3) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. Fe(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Sb site, Sb(2) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Cr(1), and two equivalent Cr(2) atoms to form corner-sharing OLiCr3 tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Cr(3), and two equivalent Fe(1) atoms to form corner-sharing OLiCrFe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(3), one Fe(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Cr(2), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Cr(2), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(2), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(3), one Fe(1), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted corner-sharing OLiCr3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Cr(3), and two equivalent Fe(1) atoms to form distorted corner-sharing OLiCrFe2 trigonal pyramids.
Li2Cr2FeSbO8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(9), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(1)-O(11) bond length is 2.00 Å. The Li(1)-O(9) bond length is 1.99 Å. Both Li(1)-O(10) bond lengths are 2.00 Å. In the second Li site, Li(2) is bonded to one O(12), one O(7), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. The Li(2)-O(12) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.00 Å. Both Li(2)-O(8) bond lengths are 2.00 Å. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-63°. The Li(3)-O(1) bond length is 1.79 Å. The Li(3)-O(3) bond length is 2.01 Å. Both Li(3)-O(4) bond lengths are 2.00 Å. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), and two equivalent O(6) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Sb(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. The Li(4)-O(2) bond length is 1.81 Å. The Li(4)-O(5) bond length is 1.99 Å. Both Li(4)-O(6) bond lengths are 2.00 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with four equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Cr(1)-O(1) bond length is 1.97 Å. The Cr(1)-O(11) bond length is 1.97 Å. Both Cr(1)-O(6) bond lengths are 2.08 Å. Both Cr(1)-O(8) bond lengths are 2.04 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(11), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Cr(2)-O(1) bond length is 1.97 Å. The Cr(2)-O(11) bond length is 1.97 Å. The Cr(2)-O(5) bond length is 2.08 Å. The Cr(2)-O(6) bond length is 2.08 Å. The Cr(2)-O(7) bond length is 2.04 Å. The Cr(2)-O(8) bond length is 2.04 Å. In the third Cr site, Cr(3) is bonded to one O(12), one O(2), two equivalent O(10), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Cr(3)-O(12) bond length is 1.99 Å. The Cr(3)-O(2) bond length is 1.98 Å. Both Cr(3)-O(10) bond lengths are 2.04 Å. Both Cr(3)-O(4) bond lengths are 2.09 Å. Fe(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid,  an edgeedge with one Sb(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Fe(1)-O(10) bond length is 2.08 Å. The Fe(1)-O(12) bond length is 1.98 Å. The Fe(1)-O(2) bond length is 1.96 Å. The Fe(1)-O(3) bond length is 2.09 Å. The Fe(1)-O(4) bond length is 2.10 Å. The Fe(1)-O(9) bond length is 2.07 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(8) atoms to form SbO6 octahedra that share corners with two equivalent Cr(3)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Sb(1)-O(3) bond length is 2.01 Å. The Sb(1)-O(7) bond length is 2.06 Å. Both Sb(1)-O(4) bond lengths are 2.02 Å. Both Sb(1)-O(8) bond lengths are 2.07 Å. In the second Sb site, Sb(2) is bonded to one O(5), one O(9), two equivalent O(10), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Cr(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Sb(2)-O(5) bond length is 2.03 Å. The Sb(2)-O(9) bond length is 2.05 Å. Both Sb(2)-O(10) bond lengths are 2.06 Å. Both Sb(2)-O(6) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Cr(1), and two equivalent Cr(2) atoms to form corner-sharing OLiCr3 tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Cr(3), and two equivalent Fe(1) atoms to form corner-sharing OLiCrFe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), one Cr(3), one Fe(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Cr(2), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(1), one Cr(2), and one Sb(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(2), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Cr(2), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(3), one Fe(1), and one Sb(2) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted corner-sharing OLiCr3 trigonal pyramids. In the twelfth O site, O(12) is bonded to one Li(2), one Cr(3), and two equivalent Fe(1) atoms to form distorted corner-sharing OLiCrFe2 trigonal pyramids.