Materials Data on Sr2CuTeO6 by Materials Project
Sr2CuTeO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.64 Å) and four longer (2.74 Å) Sr–O bond lengths. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There are four shorter (2.00 Å) and two longer (2.42 Å) Cu–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–26°. There is two shorter (1.95 Å) and four longer (1.97 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Cu2+, and one Te6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Cu2+, and one Te6+ atom to form a mixture of distorted edge and corner-sharing OSr4CuTe octahedra. The corner-sharing octahedra tilt angles range from 0–10°.