Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. 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. The corner-sharing octahedral tilt angles range from 0-26°. 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. The corner-sharing octahedral tilt angles range from 0-26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-10°.
Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.64 Å. All Sr(1)-O(2) bond lengths are 2.74 Å. 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. The corner-sharing octahedral tilt angles range from 0-26°. Both Cu(1)-O(2) bond lengths are 2.42 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. The corner-sharing octahedral tilt angles range from 0-26°. Both Te(1)-O(2) bond lengths are 1.95 Å. All Te(1)-O(1) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Cu(1), and one Te(1) atom. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OSr4CuTe octahedra. The corner-sharing octahedral tilt angles range from 0-10°.