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Title: Materials Data on Nb3As by Materials Project

Abstract

Nb3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to four equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.51–2.95 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.60–2.92 Å. In the third Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two equivalent As atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Nb–As bond lengths. As is bonded in a 9-coordinate geometry to nine Nb atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504425
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; Nb3As; As-Nb
OSTI Identifier:
1261738
DOI:
10.17188/1261738

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nb3As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261738.
Persson, Kristin, & Project, Materials. Materials Data on Nb3As by Materials Project. United States. doi:10.17188/1261738.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nb3As by Materials Project". United States. doi:10.17188/1261738. https://www.osti.gov/servlets/purl/1261738. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1261738,
title = {Materials Data on Nb3As by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nb3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to four equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.51–2.95 Å. In the second Nb site, Nb is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Nb–As bond distances ranging from 2.60–2.92 Å. In the third Nb site, Nb is bonded in a distorted bent 150 degrees geometry to two equivalent As atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Nb–As bond lengths. As is bonded in a 9-coordinate geometry to nine Nb atoms.},
doi = {10.17188/1261738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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