V6O13 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), one O(6), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(6), one O(7), and three equivalent O(3) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fourth O site, O(3) is bonded to one V(2) and three equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. In the sixth O site, O(5) is bonded in a linear geometry to one V(1) and one V(2) atom. In the seventh O site, O(6) is bonded in a linear geometry to one V(1) and one V(3) atom.
V6O13 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(4), one O(5), one O(6), and three equivalent O(1) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°. The V(1)-O(4) bond length is 1.81 Å. The V(1)-O(5) bond length is 2.04 Å. The V(1)-O(6) bond length is 1.97 Å. There are a spread of V(1)-O(1) bond distances ranging from 1.84-2.05 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(7) atoms. The V(2)-O(3) bond length is 2.08 Å. The V(2)-O(5) bond length is 1.67 Å. Both V(2)-O(2) bond lengths are 1.94 Å. There is one shorter (1.76 Å) and one longer (2.29 Å) V(2)-O(7) bond length. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(6), one O(7), and three equivalent O(3) atoms. The V(3)-O(2) bond length is 2.00 Å. The V(3)-O(6) bond length is 1.70 Å. The V(3)-O(7) bond length is 2.01 Å. There are two shorter (1.97 Å) and one longer (2.24 Å) V(3)-O(3) bond length. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the third O site, O(2) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the fourth O site, O(3) is bonded to one V(2) and three equivalent V(3) atoms to form a mixture of distorted corner and edge-sharing OV4 tetrahedra. In the fifth O site, O(4) is bonded in a linear geometry to two equivalent V(1) atoms. In the sixth O site, O(5) is bonded in a linear geometry to one V(1) and one V(2) atom. In the seventh O site, O(6) is bonded in a linear geometry to one V(1) and one V(3) atom.