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Title: Materials Data on AgC3N3O by Materials Project

Abstract

AgC3N3O is Indium structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four AgC3N3O clusters. Ag1+ is bonded in a tetrahedral geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.25–2.34 Å. The Ag–O bond length is 2.45 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ag1+, one C+3.33+, and one O2- atom. The N–O bond length is 1.28 Å. In the third N3- site, N3- is bonded in a bent 150 degreesmore » geometry to one Ag1+ and one C+3.33+ atom. O2- is bonded in a bent 120 degrees geometry to one Ag1+ and one N3- atom.« less

Publication Date:
Other Number(s):
mp-650510
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AgC3N3O; Ag-C-N-O
OSTI Identifier:
1280982
DOI:
https://doi.org/10.17188/1280982

Citation Formats

The Materials Project. Materials Data on AgC3N3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280982.
The Materials Project. Materials Data on AgC3N3O by Materials Project. United States. doi:https://doi.org/10.17188/1280982
The Materials Project. 2020. "Materials Data on AgC3N3O by Materials Project". United States. doi:https://doi.org/10.17188/1280982. https://www.osti.gov/servlets/purl/1280982. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280982,
title = {Materials Data on AgC3N3O by Materials Project},
author = {The Materials Project},
abstractNote = {AgC3N3O is Indium structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four AgC3N3O clusters. Ag1+ is bonded in a tetrahedral geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.25–2.34 Å. The Ag–O bond length is 2.45 Å. There are three inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the third C+3.33+ site, C+3.33+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.36 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Ag1+, one C+3.33+, and one O2- atom. The N–O bond length is 1.28 Å. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to one Ag1+ and one C+3.33+ atom. O2- is bonded in a bent 120 degrees geometry to one Ag1+ and one N3- atom.},
doi = {10.17188/1280982},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}