KBaVO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 1-coordinate geometry to one O(3) atom. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), three equivalent Ba(1), and one V(1) atom.
KBaVO4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 1-coordinate geometry to one O(3) atom. The K(1)-O(3) bond length is 2.72 Å. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.81 Å) and one longer (2.87 Å) Ba(1)-O(2) bond length. There is one shorter (2.83 Å) and two longer (3.29 Å) Ba(1)-O(3) bond lengths. There are two shorter (2.73 Å) and two longer (2.80 Å) Ba(1)-O(1) bond lengths. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. The V(1)-O(2) bond length is 1.75 Å. The V(1)-O(3) bond length is 1.73 Å. Both V(1)-O(1) bond lengths are 1.75 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(1), three equivalent Ba(1), and one V(1) atom.