Ca2ScSbO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Sc(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Sc(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Sc(1), and one Sb(1) atom to form distorted corner-sharing OCa2ScSb tetrahedra.
Ca2ScSbO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.35 Å) and one longer (2.46 Å) Ca(1)-O(3) bond length. There are a spread of Ca(1)-O(1) bond distances ranging from 2.39-2.82 Å. There are a spread of Ca(1)-O(2) bond distances ranging from 2.38-2.84 Å. Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Both Sc(1)-O(1) bond lengths are 2.11 Å. Both Sc(1)-O(2) bond lengths are 2.12 Å. Both Sc(1)-O(3) bond lengths are 2.12 Å. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. Both Sb(1)-O(1) bond lengths are 2.01 Å. Both Sb(1)-O(2) bond lengths are 2.01 Å. Both Sb(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Sc(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ca(1), one Sc(1), and one Sb(1) atom. In the third O site, O(3) is bonded to two equivalent Ca(1), one Sc(1), and one Sb(1) atom to form distorted corner-sharing OCa2ScSb tetrahedra.