BaSmCuBO5 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Cu(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted corner-sharing CuO5 square pyramids. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are three 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 Sm(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1), one Cu(1), and one B(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms.
BaSmCuBO5 crystallizes in the tetragonal P4bm space group. Ba(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. All Ba(1)-O(1) bond lengths are 3.27 Å. All Ba(1)-O(2) bond lengths are 2.80 Å. All Ba(1)-O(3) bond lengths are 2.97 Å. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. All Sm(1)-O(1) bond lengths are 2.47 Å. All Sm(1)-O(3) bond lengths are 2.48 Å. Cu(1) is bonded to one O(2) and four equivalent O(3) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(1)-O(2) bond length is 2.56 Å. There are two shorter (1.94 Å) and two longer (1.98 Å) Cu(1)-O(3) bond lengths. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. The B(1)-O(2) bond length is 1.40 Å. Both B(1)-O(1) bond lengths are 1.39 Å. There are three 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 Sm(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent Ba(1), one Cu(1), and one B(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms.