LiV5O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom.
LiV5O10 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Li(1)-O(1) bond lengths are 2.07 Å. Both Li(1)-O(4) bond lengths are 1.91 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-25°. Both V(1)-O(1) bond lengths are 1.99 Å. Both V(1)-O(2) bond lengths are 1.97 Å. Both V(1)-O(5) bond lengths are 1.92 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. Both V(2)-O(1) bond lengths are 2.04 Å. Both V(2)-O(2) bond lengths are 1.90 Å. Both V(2)-O(3) bond lengths are 1.94 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. Both V(3)-O(2) bond lengths are 1.99 Å. Both V(3)-O(3) bond lengths are 2.04 Å. Both V(3)-O(4) bond lengths are 2.05 Å. In the fourth V site, V(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. Both V(4)-O(3) bond lengths are 1.89 Å. Both V(4)-O(4) bond lengths are 1.98 Å. Both V(4)-O(5) bond lengths are 2.06 Å. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. Both V(5)-O(1) bond lengths are 1.90 Å. Both V(5)-O(4) bond lengths are 1.96 Å. Both V(5)-O(5) bond lengths are 2.03 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one V(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(3), one V(4), and one V(5) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(4), and one V(5) atom.