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Title: Materials Data on Ge2Br7N3 by Materials Project

Abstract

Ge2N3Br7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ge–Br bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Ge–Br bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.55–3.83 Å. In the second N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.47–3.89 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.57–3.91 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the second Br1- site, Br1-more » is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and four N+0.33- atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1181355
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; Ge2Br7N3; Br-Ge-N
OSTI Identifier:
1745024
DOI:
https://doi.org/10.17188/1745024

Citation Formats

The Materials Project. Materials Data on Ge2Br7N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745024.
The Materials Project. Materials Data on Ge2Br7N3 by Materials Project. United States. doi:https://doi.org/10.17188/1745024
The Materials Project. 2020. "Materials Data on Ge2Br7N3 by Materials Project". United States. doi:https://doi.org/10.17188/1745024. https://www.osti.gov/servlets/purl/1745024. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1745024,
title = {Materials Data on Ge2Br7N3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge2N3Br7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a trigonal non-coplanar geometry to three Br1- atoms. There are one shorter (2.35 Å) and two longer (2.36 Å) Ge–Br bond lengths. In the second Ge4+ site, Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Ge–Br bond lengths. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.55–3.83 Å. In the second N+0.33- site, N+0.33- is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of N–Br bond distances ranging from 3.47–3.89 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of N–Br bond distances ranging from 3.57–3.91 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and four N+0.33- atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and two N+0.33- atoms. In the fifth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ and three N+0.33- atoms. In the seventh Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.},
doi = {10.17188/1745024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}