BaMoSeO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. There are six 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mo(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Mo(1), and one Se(1) atom.
BaMoSeO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ba(1)-O(3) bond length is 2.97 Å. There is one shorter (3.01 Å) and one longer (3.03 Å) Ba(1)-O(1) bond length. There is one shorter (2.86 Å) and one longer (3.05 Å) Ba(1)-O(2) bond length. There is one shorter (2.79 Å) and one longer (2.98 Å) Ba(1)-O(4) bond length. There is one shorter (2.86 Å) and one longer (3.42 Å) Ba(1)-O(5) bond length. There is one shorter (2.88 Å) and one longer (3.15 Å) Ba(1)-O(6) bond length. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Mo(1)-O(1) bond length is 1.79 Å. The Mo(1)-O(2) bond length is 1.79 Å. The Mo(1)-O(3) bond length is 2.16 Å. The Mo(1)-O(4) bond length is 1.79 Å. The Mo(1)-O(5) bond length is 2.27 Å. The Mo(1)-O(6) bond length is 2.24 Å. Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(5), and one O(6) atom. The Se(1)-O(3) bond length is 1.73 Å. The Se(1)-O(5) bond length is 1.73 Å. The Se(1)-O(6) bond length is 1.75 Å. There are six 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mo(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Mo(1), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Mo(1), and one Se(1) atom.