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Title: Materials Data on Ta5(NiP)4 by Materials Project

Abstract

Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.71 Å. In the second Ta site, Ta is bonded in a square co-planar geometry to four equivalent P atoms. All Ta–P bond lengths are 2.62 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.21 Å) and one longer (2.25 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Ta and three equivalent Ni atoms.

Authors:
Publication Date:
Other Number(s):
mp-1104139
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; Ta5(NiP)4; Ni-P-Ta
OSTI Identifier:
1704239
DOI:
https://doi.org/10.17188/1704239

Citation Formats

The Materials Project. Materials Data on Ta5(NiP)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1704239.
The Materials Project. Materials Data on Ta5(NiP)4 by Materials Project. United States. doi:https://doi.org/10.17188/1704239
The Materials Project. 2020. "Materials Data on Ta5(NiP)4 by Materials Project". United States. doi:https://doi.org/10.17188/1704239. https://www.osti.gov/servlets/purl/1704239. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1704239,
title = {Materials Data on Ta5(NiP)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5(NiP)4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five equivalent P atoms. There are a spread of Ta–P bond distances ranging from 2.57–2.71 Å. In the second Ta site, Ta is bonded in a square co-planar geometry to four equivalent P atoms. All Ta–P bond lengths are 2.62 Å. Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. There are two shorter (2.21 Å) and one longer (2.25 Å) Ni–P bond lengths. P is bonded in a 9-coordinate geometry to six Ta and three equivalent Ni atoms.},
doi = {10.17188/1704239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}