BaUTiO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(6), and three equivalent O(3) atoms. U(1) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids, edges with two equivalent U(1)O7 pentagonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one U(1) atom. In the second O site, O(2) is bonded to one Ba(1), one U(1), and two equivalent Ti(1) atoms to form distorted edge-sharing OBaUTi2 tetrahedra. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent U(1), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent U(1), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ti(1) atom.
BaUTiO6 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(1), two equivalent O(6), and three equivalent O(3) atoms. The Ba(1)-O(2) bond length is 2.94 Å. The Ba(1)-O(4) bond length is 3.01 Å. The Ba(1)-O(5) bond length is 3.24 Å. There is one shorter (2.79 Å) and one longer (2.82 Å) Ba(1)-O(1) bond length. There is one shorter (2.71 Å) and one longer (3.05 Å) Ba(1)-O(6) bond length. There are a spread of Ba(1)-O(3) bond distances ranging from 3.11-3.45 Å. U(1) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one U(1)O7 pentagonal bipyramid, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The U(1)-O(1) bond length is 1.89 Å. The U(1)-O(2) bond length is 2.28 Å. The U(1)-O(3) bond length is 1.88 Å. There is one shorter (2.32 Å) and one longer (2.43 Å) U(1)-O(4) bond length. There is one shorter (2.28 Å) and one longer (2.29 Å) U(1)-O(5) bond length. Ti(1) is bonded to one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent U(1)O7 pentagonal bipyramids, edges with two equivalent U(1)O7 pentagonal bipyramids, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. The Ti(1)-O(4) bond length is 1.93 Å. The Ti(1)-O(5) bond length is 1.94 Å. The Ti(1)-O(6) bond length is 1.73 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Ti(1)-O(2) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one U(1) atom. In the second O site, O(2) is bonded to one Ba(1), one U(1), and two equivalent Ti(1) atoms to form distorted edge-sharing OBaUTi2 tetrahedra. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Ba(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent U(1), and one Ti(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), two equivalent U(1), and one Ti(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ti(1) atom.