Ba2ReO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom.
Ba2ReO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 2.89 Å. There is one shorter (2.66 Å) and one longer (2.71 Å) Ba(1)-O(3) bond length. Both Ba(1)-O(4) bond lengths are 2.87 Å. There are two shorter (2.88 Å) and two longer (2.91 Å) Ba(1)-O(1) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Both Ba(2)-O(2) bond lengths are 3.01 Å. Both Ba(2)-O(3) bond lengths are 2.89 Å. There is one shorter (2.85 Å) and one longer (2.91 Å) Ba(2)-O(4) bond length. There are two shorter (2.75 Å) and two longer (2.89 Å) Ba(2)-O(1) bond lengths. Re(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra are not tilted. The Re(1)-O(3) bond length is 1.94 Å. The Re(1)-O(4) bond length is 1.86 Å. Both Re(1)-O(1) bond lengths are 1.88 Å. Both Re(1)-O(2) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Re(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), and one Re(1) atom.