Li9Ti7Cr6O30 crystallizes in the trigonal P3 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Ti(7)O6 octahedra, and  a faceface with one Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. In the seventh Li site, Li(7) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the eighth Li site, Li(8) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Cr(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third Ti site, Ti(3) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the fourth Ti site, Ti(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, and  a faceface with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the seventh Ti site, Ti(7) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. In the fourth Cr site, Cr(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the fifth Cr site, Cr(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the sixth Cr site, Cr(6) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Li(2), one Li(7), one Li(8), one Ti(7), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OLi3TiCr trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Cr(1), and one Cr(5) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Ti(3), one Ti(6), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(9), one Ti(4), one Ti(5), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(6), one Li(9), one Cr(1), and one Cr(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLi2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Cr(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(8), one Ti(4), one Ti(5), and one Cr(6) atom.
Li9Ti7Cr6O30 crystallizes in the trigonal P3 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. All Li(1)-O(4) bond lengths are 2.07 Å. All Li(1)-O(7) bond lengths are 2.24 Å. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(6)O6 octahedra, edges with three equivalent Ti(7)O6 octahedra, and  a faceface with one Cr(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. All Li(2)-O(2) bond lengths are 2.21 Å. All Li(2)-O(9) bond lengths are 2.14 Å. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to three equivalent O(4) and three equivalent O(7) atoms. All Li(3)-O(4) bond lengths are 2.57 Å. All Li(3)-O(7) bond lengths are 1.94 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(6) atoms. All Li(4)-O(3) bond lengths are 1.96 Å. All Li(4)-O(6) bond lengths are 2.47 Å. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(8) atoms. All Li(5)-O(3) bond lengths are 2.40 Å. All Li(5)-O(8) bond lengths are 2.05 Å. In the sixth Li site, Li(6) is bonded in a trigonal planar geometry to three equivalent O(6) atoms. All Li(6)-O(6) bond lengths are 1.92 Å. In the seventh Li site, Li(7) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All Li(7)-O(2) bond lengths are 1.94 Å. In the eighth Li site, Li(8) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, edges with three equivalent Cr(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. All Li(8)-O(10) bond lengths are 1.98 Å. All Li(8)-O(2) bond lengths are 2.11 Å. In the ninth Li site, Li(9) is bonded in a 6-coordinate geometry to three equivalent O(5) and three equivalent O(6) atoms. All Li(9)-O(5) bond lengths are 2.06 Å. All Li(9)-O(6) bond lengths are 2.32 Å. There are seven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form distorted TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Cr(5)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Ti(1)-O(1) bond lengths are 1.87 Å. All Ti(1)-O(8) bond lengths are 2.10 Å. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form TiO6 octahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. All Ti(2)-O(1) bond lengths are 2.13 Å. All Ti(2)-O(8) bond lengths are 1.88 Å. In the third Ti site, Ti(3) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, edges with three equivalent Ti(6)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ti(3)-O(4) bond lengths are 1.87 Å. All Ti(3)-O(9) bond lengths are 2.10 Å. In the fourth Ti site, Ti(4) is bonded to three equivalent O(10) and three equivalent O(5) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(8)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, and  a faceface with one Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. All Ti(4)-O(10) bond lengths are 1.88 Å. All Ti(4)-O(5) bond lengths are 2.14 Å. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to three equivalent O(10) and three equivalent O(5) atoms. All Ti(5)-O(10) bond lengths are 2.20 Å. All Ti(5)-O(5) bond lengths are 1.85 Å. In the sixth Ti site, Ti(6) is bonded to three equivalent O(4) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, and edges with three equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. All Ti(6)-O(4) bond lengths are 2.11 Å. All Ti(6)-O(9) bond lengths are 1.87 Å. In the seventh Ti site, Ti(7) is bonded to three equivalent O(2) and three equivalent O(9) atoms to form distorted TiO6 octahedra that share corners with three equivalent Ti(6)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  a faceface with one Li(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-39°. All Ti(7)-O(2) bond lengths are 1.87 Å. All Ti(7)-O(9) bond lengths are 2.13 Å. There are six inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Cr(1)-O(3) bond lengths are 1.93 Å. All Cr(1)-O(6) bond lengths are 1.96 Å. In the second Cr site, Cr(2) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. All Cr(2)-O(1) bond lengths are 1.98 Å. All Cr(2)-O(7) bond lengths are 2.07 Å. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to three equivalent O(4) and three equivalent O(7) atoms. All Cr(3)-O(4) bond lengths are 2.17 Å. All Cr(3)-O(7) bond lengths are 1.75 Å. In the fourth Cr site, Cr(4) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Cr(4)-O(5) bond lengths are 2.09 Å. All Cr(4)-O(6) bond lengths are 1.85 Å. In the fifth Cr site, Cr(5) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CrO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. All Cr(5)-O(3) bond lengths are 1.84 Å. All Cr(5)-O(8) bond lengths are 2.08 Å. In the sixth Cr site, Cr(6) is bonded to three equivalent O(10) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(7)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-54°. All Cr(6)-O(10) bond lengths are 2.09 Å. All Cr(6)-O(2) bond lengths are 2.02 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Cr(2) atom. In the second O site, O(2) is bonded to one Li(2), one Li(7), one Li(8), one Ti(7), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OLi3TiCr trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Cr(1), and one Cr(5) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Ti(3), one Ti(6), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(9), one Ti(4), one Ti(5), and one Cr(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(4), one Li(6), one Li(9), one Cr(1), and one Cr(4) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OLi2Cr2 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(5), one Ti(1), one Ti(2), and one Cr(5) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ti(3), one Ti(6), and one Ti(7) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(8), one Ti(4), one Ti(5), and one Cr(6) atom.