Materials Data on SiAg5O4 by Materials Project

Abstract

Ag5SiO4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are three inequivalent Ag+2.40+ sites. In the first Ag+2.40+ site, Ag+2.40+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.79 Å. In the second Ag+2.40+ site, Ag+2.40+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.39–2.52 Å. In the third Ag+2.40+ site, Ag+2.40+ is bonded in a water-like geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.36 Å. Si4- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.66 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Ag+2.40+ and one Si4- atom.