BiTaO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 39°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Bi(1) atom.
BiTaO4 crystallizes in the orthorhombic Pnna space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 39°. Both Ta(1)-O(1) bond lengths are 1.99 Å. There are two shorter (1.90 Å) and two longer (2.09 Å) Ta(1)-O(2) bond lengths. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Bi(1)-O(2) bond lengths are 2.73 Å. There are two shorter (2.15 Å) and two longer (2.32 Å) Bi(1)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Bi(1) atom.