DOI: 10.17188/1689283
title: Materials Data on Si3Ag10S11 by Materials Project

description: Ag10Si3S11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are ten inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Ag–S bond distances ranging from 2.43–3.04 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.47–2.88 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to one Ag1+ and six S2- atoms. The Ag–Ag bond length is 2.87 Å. There are a spread of Ag–S bond distances ranging from 2.52–3.25 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one Ag1+ and three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–2.61 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.05 Å. In the sixth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.42–3.22 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.86 Å. In the eighth Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–3.08 Å. In the ninth Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to seven S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–3.52 Å. In the tenth Ag1+ site, Ag1+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.41–2.59 Å. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four S2- atoms to form corner-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.11–2.20 Å. In the second Si4+ site, Si4+ is bonded to four S2- atoms to form corner-sharing SiS4 tetrahedra. There are a spread of Si–S bond distances ranging from 2.12–2.22 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.15–2.21 Å. There are eleven inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal pyramidal geometry to three Ag1+ and one Si4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to four Ag1+ and two Si4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to four Ag1+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a 2-coordinate geometry to three Ag1+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ and one Si4+ atom. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to four Ag1+ and one Si4+ atom. In the ninth S2- site, S2- is bonded in a 6-coordinate geometry to five Ag1+ and one Si4+ atom. In the tenth S2- site, S2- is bonded in a 6-coordinate geometry to five Ag1+ and one Si4+ atom. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Si4+ atom.