BaBiBO4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) 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), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one B(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to three equivalent Ba(1) and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OBa3Bi tetrahedra.
BaBiBO4 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There is one shorter (2.84 Å) and one longer (2.87 Å) Ba(1)-O(2) bond length. There is one shorter (2.73 Å) and two longer (2.84 Å) Ba(1)-O(3) bond lengths. There are two shorter (2.93 Å) and two longer (3.05 Å) Ba(1)-O(1) 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 1.40 Å. Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Bi(1)-O(3) bond length is 2.04 Å. Both Bi(1)-O(1) bond lengths are 2.28 Å. Both Bi(1)-O(2) bond lengths are 2.61 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), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one B(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded to three equivalent Ba(1) and one Bi(1) atom to form a mixture of distorted edge and corner-sharing OBa3Bi tetrahedra.