Ba2CuTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Cu(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 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 0-4°. 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 Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Cu(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-11°.
Ba2CuTeO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Ba(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Cu(1)O6 octahedra, and faces with four equivalent Te(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 2.81 Å. There are four shorter (2.90 Å) and four longer (2.99 Å) Ba(1)-O(1) bond lengths. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with six equivalent Te(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Cu(1)-O(2) bond lengths are 2.46 Å. All Cu(1)-O(1) bond lengths are 2.00 Å. Te(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TeO6 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 0-4°. Both Te(1)-O(2) bond lengths are 1.91 Å. All Te(1)-O(1) 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 Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Cu(1), and one Te(1) atom to form a mixture of distorted edge and corner-sharing OBa4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-11°.