Bi2InTaO7 crystallizes in the orthorhombic Imma space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)In2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)In2Bi2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)In2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ta(1), one In(1), one Bi(1), and one Bi(2) atom.
Bi2InTaO7 crystallizes in the orthorhombic Imma space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. Both Ta(1)-O(2) bond lengths are 1.96 Å. All Ta(1)-O(4) bond lengths are 2.02 Å. In(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. Both In(1)-O(3) bond lengths are 2.18 Å. All In(1)-O(4) bond lengths are 2.23 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(4) atoms. Both Bi(1)-O(1) bond lengths are 2.29 Å. All Bi(1)-O(4) bond lengths are 2.52 Å. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Both Bi(2)-O(1) bond lengths are 2.37 Å. Both Bi(2)-O(3) bond lengths are 2.50 Å. All Bi(2)-O(4) bond lengths are 2.69 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)In2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)In2Bi2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)In2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ta(1), one In(1), one Bi(1), and one Bi(2) atom.