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

Abstract

Nb5(NiP)4 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 5-coordinate geometry to five equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.72 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.65 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.22 Å) and one longer (2.27 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-10430
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(NiP)4; Nb-Ni-P
OSTI Identifier:
1187116
DOI:
https://doi.org/10.17188/1187116

Citation Formats

The Materials Project. Materials Data on Nb5(NiP)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187116.
The Materials Project. Materials Data on Nb5(NiP)4 by Materials Project. United States. doi:https://doi.org/10.17188/1187116
The Materials Project. 2020. "Materials Data on Nb5(NiP)4 by Materials Project". United States. doi:https://doi.org/10.17188/1187116. https://www.osti.gov/servlets/purl/1187116. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187116,
title = {Materials Data on Nb5(NiP)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb5(NiP)4 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 5-coordinate geometry to five equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.59–2.72 Å. In the second Nb site, Nb is bonded in a square co-planar geometry to four equivalent P atoms. All Nb–P bond lengths are 2.65 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.22 Å) and one longer (2.27 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Nb and three equivalent Ni atoms.},
doi = {10.17188/1187116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}