Materials Data on Ag2CO3 by Materials Project

Abstract

Ag2CO3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.55 Å. In the second Ag1+ site, Ag1+ is bonded to five O2- atoms to form edge-sharing AgO5 trigonal bipyramids. There are a spread of Ag–O bond distances ranging from 2.38–2.50 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. In the third C4+ site, C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ag1+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Ag1+ and one C4+ atom.