Ba2CuO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Cu(1) atom.
Ba2CuO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are a spread of Ba(1)-O(1) bond distances ranging from 2.84-2.94 Å. There are a spread of Ba(1)-O(2) bond distances ranging from 2.82-2.92 Å. There are a spread of Ba(1)-O(3) bond distances ranging from 2.73-2.82 Å. Cu(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cu(1)-O(1) bond lengths are 1.87 Å. Both Cu(1)-O(2) bond lengths are 1.85 Å. Both Cu(1)-O(3) bond lengths are 1.87 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Ba(1) and one Cu(1) atom.