BaVO3Cl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(2), four equivalent O(1), and four equivalent Cl(1) atoms. V(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one V(1) atom. Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra.
BaVO3Cl crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(2), four equivalent O(1), and four equivalent Cl(1) atoms. There is one shorter (2.92 Å) and two longer (3.33 Å) Ba(1)-O(2) bond lengths. There are two shorter (2.90 Å) and two longer (2.99 Å) Ba(1)-O(1) bond lengths. There are a spread of Ba(1)-Cl(1) bond distances ranging from 3.11-3.27 Å. V(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. The V(1)-O(2) bond length is 1.65 Å. There are two shorter (1.85 Å) and two longer (1.95 Å) V(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Ba(1) and two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one V(1) atom. Cl(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra.