Materials Data on Cu7Te4 by Materials Project

Abstract

Cu7Te4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are ten inequivalent Cu+1.14+ sites. In the first Cu+1.14+ site, Cu+1.14+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.66–3.20 Å. In the second Cu+1.14+ site, Cu+1.14+ is bonded in a distorted trigonal planar geometry to three Cu+1.14+ and three Te2- atoms. There are one shorter (2.52 Å) and two longer (2.55 Å) Cu–Cu bond lengths. There are two shorter (2.53 Å) and one longer (2.54 Å) Cu–Te bond lengths. In the third Cu+1.14+ site, Cu+1.14+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.66–2.99 Å. In the fourth Cu+1.14+ site, Cu+1.14+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.57–3.23 Å. In the fifth Cu+1.14+ site, Cu+1.14+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.66–3.06 Å. In the sixth Cu+1.14+ site, Cu+1.14+ is bonded in a 3-coordinate geometry to four Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.64–3.35 Å. In the seventh Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to two equivalent Cu+1.14+ and four Te2- atoms. Both Cu–Cu bond lengths are 2.58 Å. There are a spread of Cu–Te bond distances ranging from 2.56–3.13 Å. In the eighth Cu+1.14+ site, Cu+1.14+ is bonded in a 4-coordinate geometry to one Cu+1.14+ and four Te2- atoms. The Cu–Cu bond length is 2.55 Å. There are a spread of Cu–Te bond distances ranging from 2.61–3.13 Å. In the ninth Cu+1.14+ site, Cu+1.14+ is bonded in a 6-coordinate geometry to one Cu+1.14+ and five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.70–3.15 Å. In the tenth Cu+1.14+ site, Cu+1.14+ is bonded in a 2-coordinate geometry to three Cu+1.14+ and five Te2- atoms. There are a spread of Cu–Te bond distances ranging from 2.64–3.44 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 9-coordinate geometry to nine Cu+1.14+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Cu+1.14+ atoms. In the third Te2- site, Te2- is bonded in a 9-coordinate geometry to nine Cu+1.14+ atoms. In the fourth Te2- site, Te2- is bonded in a 6-coordinate geometry to six Cu+1.14+ atoms. In the fifth Te2- site, Te2- is bonded in a 4-coordinate geometry to six Cu+1.14+ atoms. In the sixth Te2- site, Te2- is bonded in a 7-coordinate geometry to eight Cu+1.14+ atoms.