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Title: Materials Data on AlBr3N by Materials Project

Abstract

AlNBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen AlNBr3 clusters. Al is bonded in a trigonal pyramidal geometry to one N and three Br atoms. The Al–N bond length is 2.02 Å. There are one shorter (2.27 Å) and two longer (2.29 Å) Al–Br bond lengths. N is bonded in a single-bond geometry to one Al atom. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Al atom. In the second Br site, Br is bonded in a single-bond geometry to one Al atom. In the third Br site, Br is bonded in a single-bond geometry to one Al atom.

Publication Date:
Other Number(s):
mp-1202918
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; AlBr3N; Al-Br-N
OSTI Identifier:
1707309
DOI:
https://doi.org/10.17188/1707309

Citation Formats

The Materials Project. Materials Data on AlBr3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707309.
The Materials Project. Materials Data on AlBr3N by Materials Project. United States. doi:https://doi.org/10.17188/1707309
The Materials Project. 2020. "Materials Data on AlBr3N by Materials Project". United States. doi:https://doi.org/10.17188/1707309. https://www.osti.gov/servlets/purl/1707309. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1707309,
title = {Materials Data on AlBr3N by Materials Project},
author = {The Materials Project},
abstractNote = {AlNBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen AlNBr3 clusters. Al is bonded in a trigonal pyramidal geometry to one N and three Br atoms. The Al–N bond length is 2.02 Å. There are one shorter (2.27 Å) and two longer (2.29 Å) Al–Br bond lengths. N is bonded in a single-bond geometry to one Al atom. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Al atom. In the second Br site, Br is bonded in a single-bond geometry to one Al atom. In the third Br site, Br is bonded in a single-bond geometry to one Al atom.},
doi = {10.17188/1707309},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}