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Title: Materials Data on Nb7P4 by Materials Project

Abstract

Nb7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.58–3.01 Å. In the second Nb site, Nb is bonded to five P atoms to form a mixture of distorted face, edge, and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.50–2.59 Å. In the third Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.60–2.91 Å. In the fourth Nb site, Nb is bonded to five P atoms to form a mixture of distorted face, edge, and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.46–2.62 Å. In the fifth Nb site, Nb is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Nb–P bond distances ranging from 2.48–2.73 Å. In the sixth Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distancesmore » ranging from 2.60–3.05 Å. In the seventh Nb site, Nb is bonded in a square co-planar geometry to four P atoms. There are two shorter (2.61 Å) and two longer (2.65 Å) Nb–P bond lengths. In the eighth Nb site, Nb is bonded in a distorted square co-planar geometry to four P atoms. There are two shorter (2.53 Å) and two longer (2.69 Å) Nb–P bond lengths. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the third P site, P is bonded to seven Nb atoms to form a mixture of distorted edge and corner-sharing PNb7 pentagonal bipyramids. In the fourth P site, P is bonded in a 8-coordinate geometry to eight Nb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-18254
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; Nb7P4; Nb-P
OSTI Identifier:
1193010
DOI:
https://doi.org/10.17188/1193010

Citation Formats

The Materials Project. Materials Data on Nb7P4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193010.
The Materials Project. Materials Data on Nb7P4 by Materials Project. United States. doi:https://doi.org/10.17188/1193010
The Materials Project. 2020. "Materials Data on Nb7P4 by Materials Project". United States. doi:https://doi.org/10.17188/1193010. https://www.osti.gov/servlets/purl/1193010. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193010,
title = {Materials Data on Nb7P4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb7P4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are eight inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.58–3.01 Å. In the second Nb site, Nb is bonded to five P atoms to form a mixture of distorted face, edge, and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.50–2.59 Å. In the third Nb site, Nb is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.60–2.91 Å. In the fourth Nb site, Nb is bonded to five P atoms to form a mixture of distorted face, edge, and corner-sharing NbP5 trigonal bipyramids. There are a spread of Nb–P bond distances ranging from 2.46–2.62 Å. In the fifth Nb site, Nb is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Nb–P bond distances ranging from 2.48–2.73 Å. In the sixth Nb site, Nb is bonded in a 4-coordinate geometry to five P atoms. There are a spread of Nb–P bond distances ranging from 2.60–3.05 Å. In the seventh Nb site, Nb is bonded in a square co-planar geometry to four P atoms. There are two shorter (2.61 Å) and two longer (2.65 Å) Nb–P bond lengths. In the eighth Nb site, Nb is bonded in a distorted square co-planar geometry to four P atoms. There are two shorter (2.53 Å) and two longer (2.69 Å) Nb–P bond lengths. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Nb atoms. In the third P site, P is bonded to seven Nb atoms to form a mixture of distorted edge and corner-sharing PNb7 pentagonal bipyramids. In the fourth P site, P is bonded in a 8-coordinate geometry to eight Nb atoms.},
doi = {10.17188/1193010},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}