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Title: Materials Data on Ag2C4Br3N by Materials Project

Abstract

Ag2Br3C4N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four C4N clusters and two Ag2Br3 ribbons oriented in the (1, 0, 0) direction. In each C4N cluster, there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.57 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.69 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms. In each Ag2Br3 ribbon, Ag1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing AgBr4 tetrahedra. There are a spread of Ag–Br bond distances ranging from 2.58–2.93 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ag1+ atoms. In the third Br1- site, Br1- ismore » bonded in an L-shaped geometry to two equivalent Ag1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1197559
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag2C4Br3N; Ag-Br-C-N
OSTI Identifier:
1682208
DOI:
https://doi.org/10.17188/1682208

Citation Formats

The Materials Project. Materials Data on Ag2C4Br3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682208.
The Materials Project. Materials Data on Ag2C4Br3N by Materials Project. United States. doi:https://doi.org/10.17188/1682208
The Materials Project. 2020. "Materials Data on Ag2C4Br3N by Materials Project". United States. doi:https://doi.org/10.17188/1682208. https://www.osti.gov/servlets/purl/1682208. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1682208,
title = {Materials Data on Ag2C4Br3N by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2Br3C4N crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four C4N clusters and two Ag2Br3 ribbons oriented in the (1, 0, 0) direction. In each C4N cluster, there are three inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.44 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.57 Å. In the third C1+ site, C1+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.69 Å. N3- is bonded in a 4-coordinate geometry to four C1+ atoms. In each Ag2Br3 ribbon, Ag1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing AgBr4 tetrahedra. There are a spread of Ag–Br bond distances ranging from 2.58–2.93 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ag1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ag1+ atoms.},
doi = {10.17188/1682208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}