Ba3V4O13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent V(1) atoms. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom.
Ba3V4O13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(3) atoms. The Ba(1)-O(1) bond length is 2.89 Å. Both Ba(1)-O(2) bond lengths are 2.77 Å. Both Ba(1)-O(4) bond lengths are 2.70 Å. Both Ba(1)-O(6) bond lengths are 3.22 Å. There are two shorter (2.96 Å) and two longer (3.26 Å) Ba(1)-O(3) bond lengths. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. The Ba(2)-O(3) bond length is 2.76 Å. The Ba(2)-O(4) bond length is 2.83 Å. There is one shorter (2.86 Å) and one longer (2.89 Å) Ba(2)-O(2) bond length. There is one shorter (2.79 Å) and one longer (2.92 Å) Ba(2)-O(6) bond length. There is one shorter (2.76 Å) and one longer (2.79 Å) Ba(2)-O(7) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. The V(1)-O(1) bond length is 1.80 Å. The V(1)-O(5) bond length is 1.76 Å. The V(1)-O(6) bond length is 1.66 Å. The V(1)-O(7) bond length is 1.66 Å. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. The V(2)-O(2) bond length is 1.70 Å. The V(2)-O(3) bond length is 1.69 Å. The V(2)-O(4) bond length is 1.69 Å. The V(2)-O(5) bond length is 1.82 Å. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent V(1) atoms. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom.