Ca2TaInO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Ta(1), and one In(1) atom to form distorted corner-sharing OCa2TaIn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ta(1), and one In(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ta(1), and one In(1) atom.
Ca2TaInO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.34 Å) and one longer (2.44 Å) Ca(1)-O(1) bond length. There are a spread of Ca(1)-O(2) bond distances ranging from 2.38-2.84 Å. There are a spread of Ca(1)-O(3) bond distances ranging from 2.37-2.86 Å. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Both Ta(1)-O(1) bond lengths are 2.01 Å. Both Ta(1)-O(2) bond lengths are 2.00 Å. Both Ta(1)-O(3) bond lengths are 2.01 Å. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-35°. Both In(1)-O(1) bond lengths are 2.19 Å. Both In(1)-O(2) bond lengths are 2.18 Å. Both In(1)-O(3) bond lengths are 2.19 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ca(1), one Ta(1), and one In(1) atom to form distorted corner-sharing OCa2TaIn tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ta(1), and one In(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Ta(1), and one In(1) atom.