BaB4(SbO6)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one Sb(2) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one Sb(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(2), and one Sb(2) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one B(2), and one Sb(1) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sb(1), and one Sb(2) atom.
BaB4(SbO6)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Ba(1)-O(1) bond lengths are 2.82 Å. Both Ba(1)-O(2) bond lengths are 3.30 Å. Both Ba(1)-O(3) bond lengths are 2.93 Å. Both Ba(1)-O(4) bond lengths are 3.23 Å. Both Ba(1)-O(5) bond lengths are 3.09 Å. Both Ba(1)-O(6) bond lengths are 2.89 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.38 Å. The B(1)-O(3) bond length is 1.37 Å. The B(1)-O(4) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The B(2)-O(4) bond length is 1.41 Å. The B(2)-O(5) bond length is 1.36 Å. The B(2)-O(6) bond length is 1.38 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. Both Sb(1)-O(1) bond lengths are 1.98 Å. Both Sb(1)-O(3) bond lengths are 2.01 Å. Both Sb(1)-O(6) bond lengths are 2.02 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 41°. Both Sb(2)-O(1) bond lengths are 1.98 Å. Both Sb(2)-O(2) bond lengths are 2.01 Å. Both Sb(2)-O(5) bond lengths are 2.00 Å. There are six inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(1), and one Sb(2) atom. In the second O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one Sb(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one Ba(1), one B(1), and one B(2) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one B(2), and one Sb(2) atom. In the fifth O site, O(6) is bonded in a 2-coordinate geometry to one Ba(1), one B(2), and one Sb(1) atom. In the sixth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sb(1), and one Sb(2) atom.