skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ag3N5O6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1272379· OSTI ID:1272379

Ag3N5O6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one N+1.80+ and four O2- atoms. The Ag–N bond length is 2.29 Å. There are two shorter (2.66 Å) and two longer (2.71 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.66 Å. There are four inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a linear geometry to two N+1.80+ atoms. Both N–N bond lengths are 1.19 Å. In the second N+1.80+ site, N+1.80+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to one Ag1+ and one N+1.80+ atom. In the fourth N+1.80+ site, N+1.80+ is bonded in a distorted single-bond geometry to one N+1.80+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N+1.80+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1272379
Report Number(s):
mp-562667
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Rb6Al7Si5AgO24 by Materials Project
Dataset · Fri Jan 11 00:00:00 EST 2019 · OSTI ID:1272379

Materials Data on K5Ag(NO)2 by Materials Project
Dataset · Tue Jul 14 00:00:00 EDT 2020 · OSTI ID:1272379

Materials Data on Cs2CaAg2H4C6S6(N3O)2 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1272379