Materials Data on Ag8GeSe6 by Materials Project
Ag8GeSe6 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are five inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.62–2.88 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.59–3.30 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.69–2.76 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.65–2.99 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.67–2.77 Å. Ge4+ is bonded in a tetrahedral geometry to four Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.38–2.41 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Ag1+ and one Ge4+ atom. In the second Se2- site, Se2- is bonded in a distorted tetrahedral geometry to three Ag1+ and one Ge4+ atom. In the third Se2- site, Se2- is bonded in a 6-coordinate geometry to five Ag1+ and one Ge4+ atom. In the fourth Se2- site, Se2- is bonded in a 8-coordinate geometry to eight Ag1+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five Ag1+ atoms.