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Title: Materials Data on AgH2C2N3O by Materials Project

Abstract

AgC2N3H2O crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgC2N3H2O sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.14–2.78 Å. The Ag–O bond length is 2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.39 Å) C–N bond length. The C–O bond length is 1.27 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ag1+ and two C4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and twomore » H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a single-bond geometry to one Ag1+ and one C4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-707277
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; AgH2C2N3O; Ag-C-H-N-O
OSTI Identifier:
1286363
DOI:
10.17188/1286363

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AgH2C2N3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286363.
Persson, Kristin, & Project, Materials. Materials Data on AgH2C2N3O by Materials Project. United States. doi:10.17188/1286363.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AgH2C2N3O by Materials Project". United States. doi:10.17188/1286363. https://www.osti.gov/servlets/purl/1286363. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286363,
title = {Materials Data on AgH2C2N3O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgC2N3H2O crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AgC2N3H2O sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a 4-coordinate geometry to three N3- and one O2- atom. There are a spread of Ag–N bond distances ranging from 2.14–2.78 Å. The Ag–O bond length is 2.61 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. There is one shorter (1.34 Å) and one longer (1.39 Å) C–N bond length. The C–O bond length is 1.27 Å. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ag1+ and two C4+ atoms. In the third N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a single-bond geometry to one Ag1+ and one C4+ atom.},
doi = {10.17188/1286363},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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