Ba5Re3O16 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), two equivalent Ba(2), and one Re(1) atom to form a mixture of distorted corner and edge-sharing OBa3Re tetrahedra. In the second O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ba(2) atoms. In the third O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(2) and one Re(1) atom. In the fourth O site, O(3) is bonded to one Ba(2), two equivalent Ba(1), and one Re(1) atom to form a mixture of distorted corner and edge-sharing OBa3Re tetrahedra.
Ba5Re3O16 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(3) atoms. All Ba(1)-O(4) bond lengths are 2.83 Å. There are three shorter (2.75 Å) and three longer (2.82 Å) Ba(1)-O(3) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. The Ba(2)-O(1) bond length is 2.92 Å. Both Ba(2)-O(3) bond lengths are 2.83 Å. There is one shorter (3.02 Å) and two longer (3.26 Å) Ba(2)-O(2) bond lengths. There are two shorter (2.81 Å) and two longer (2.90 Å) Ba(2)-O(4) bond lengths. Re(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. The Re(1)-O(2) bond length is 1.76 Å. Both Re(1)-O(3) bond lengths are 1.86 Å. Both Re(1)-O(4) bond lengths are 1.85 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded to one Ba(1), two equivalent Ba(2), and one Re(1) atom to form a mixture of distorted corner and edge-sharing OBa3Re tetrahedra. In the second O site, O(1) is bonded in a trigonal planar geometry to three equivalent Ba(2) atoms. In the third O site, O(2) is bonded in a single-bond geometry to three equivalent Ba(2) and one Re(1) atom. In the fourth O site, O(3) is bonded to one Ba(2), two equivalent Ba(1), and one Re(1) atom to form a mixture of distorted corner and edge-sharing OBa3Re tetrahedra.