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Title: Materials Data on Nb5(AsPd)4 by Materials Project

Abstract

Nb5Pd4As4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent As atoms. There are a spread of Nb–Pd bond distances ranging from 2.98–3.12 Å. There are a spread of Nb–As bond distances ranging from 2.66–2.99 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent As atoms. All Nb–As bond lengths are 2.68 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent As atoms. There are four shorter (2.92 Å) and one longer (3.13 Å) Pd–Pd bond lengths. There are two shorter (2.47 Å) and one longer (2.54 Å) Pd–As bond lengths. As is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7221
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; Nb5(AsPd)4; As-Nb-Pd
OSTI Identifier:
1287424
DOI:
10.17188/1287424

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Nb5(AsPd)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287424.
Persson, Kristin, & Project, Materials. Materials Data on Nb5(AsPd)4 by Materials Project. United States. doi:10.17188/1287424.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Nb5(AsPd)4 by Materials Project". United States. doi:10.17188/1287424. https://www.osti.gov/servlets/purl/1287424. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287424,
title = {Materials Data on Nb5(AsPd)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Nb5Pd4As4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to four equivalent Pd and five equivalent As atoms. There are a spread of Nb–Pd bond distances ranging from 2.98–3.12 Å. There are a spread of Nb–As bond distances ranging from 2.66–2.99 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent As atoms. All Nb–As bond lengths are 2.68 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Nb, five equivalent Pd, and three equivalent As atoms. There are four shorter (2.92 Å) and one longer (3.13 Å) Pd–Pd bond lengths. There are two shorter (2.47 Å) and one longer (2.54 Å) Pd–As bond lengths. As is bonded in a 9-coordinate geometry to six Nb and three equivalent Pd atoms.},
doi = {10.17188/1287424},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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