Materials Data on CuAg4TeO6 by Materials Project
Ag4CuTeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.47–2.75 Å. In the second Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.29–2.86 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.90 Å. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share edges with two equivalent CuO6 octahedra and edges with three equivalent TeO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.98–2.59 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with three equivalent CuO6 octahedra. There are a spread of Te–O bond distances ranging from 1.97–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three Ag1+, two equivalent Cu2+, and one Te6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Ag1+, one Cu2+, and one Te6+ atom.