Ba2CuOsO6 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 Os(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Os(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuOs octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Os(1), and one Cu(1) atom.
Ba2CuOsO6 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 Os(1)O6 octahedra, and faces with four equivalent Cu(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.88 Å. There are four shorter (2.90 Å) and four longer (3.08 Å) Ba(1)-O(2) bond lengths. Os(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form OsO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Both Os(1)-O(1) bond lengths are 1.94 Å. All Os(1)-O(2) bond lengths are 1.94 Å. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. Both Cu(1)-O(1) bond lengths are 2.44 Å. All Cu(1)-O(2) bond lengths are 2.13 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Os(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuOs octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Os(1), and one Cu(1) atom.