Ba2TaMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm 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 Ta(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Ta(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OBa4TaMn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ta(1), and one Mn(1) atom.
Ba2TaMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm 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 Ta(1)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.84 Å. All Ba(1)-O(2) bond lengths are 2.96 Å. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ta(1)-O(1) bond lengths are 1.99 Å. All Ta(1)-O(2) bond lengths are 2.03 Å. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-O(1) bond lengths are 2.36 Å. All Mn(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Ta(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OBa4TaMn octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ba(1), one Ta(1), and one Mn(1) atom.