Materials Data on Ag8GeTe6 by Materials Project

Abstract

Ag8GeTe6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 8-coordinate geometry to four Ag1+ and four Te2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.87–3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.95–3.13 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Ag1+ and three Te2- atoms. There are one shorter (2.92 Å) and one longer (3.03 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.84–2.94 Å. In the third Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.94 Å. There are a spread of Ag–Te bond distances ranging from 2.83–3.06 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three Ag1+ and four Te2- atoms. There are one shorter (2.82 Å) and one longer (2.90 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.78–3.21 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Te bond distances ranging from 2.84–3.16 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to three Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.89–3.21 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.86–3.17 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. There are a spread of Ag–Te bond distances ranging from 2.78–3.23 Å. Ge4+ is bonded in a tetrahedral geometry to four Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.59–2.65 Å. There are six inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to seven Ag1+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to six Ag1+ and one Ge4+ atom. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the sixth Te2- site, Te2- is bonded in a 3-coordinate geometry to two Ag1+ and one Ge4+ atom.