Ba2CaWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ca(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ca(1), and one W(1) atom.
Ba2CaWO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ca(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.02 Å. There are four shorter (2.97 Å) and four longer (3.08 Å) Ba(1)-O(2) bond lengths. Ca(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Ca(1)-O(1) bond lengths are 2.31 Å. All Ca(1)-O(2) bond lengths are 2.30 Å. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both W(1)-O(1) bond lengths are 1.96 Å. All W(1)-O(2) bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ca(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ca(1), and one W(1) atom.