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Title: Materials Data on Ta5Ni by Materials Project

Abstract

Ta5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta and three equivalent Ni atoms. There are three shorter (2.77 Å) and three longer (3.06 Å) Ta–Ta bond lengths. All Ta–Ni bond lengths are 2.60 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to twelve Ta and two equivalent Ni atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Ta–Ta bond lengths. Both Ta–Ni bond lengths are 3.07 Å. Ni is bonded to twelve Ta atoms to form distorted face-sharing NiTa12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1191664
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; Ta5Ni; Ni-Ta
OSTI Identifier:
1727254
DOI:
https://doi.org/10.17188/1727254

Citation Formats

The Materials Project. Materials Data on Ta5Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727254.
The Materials Project. Materials Data on Ta5Ni by Materials Project. United States. doi:https://doi.org/10.17188/1727254
The Materials Project. 2020. "Materials Data on Ta5Ni by Materials Project". United States. doi:https://doi.org/10.17188/1727254. https://www.osti.gov/servlets/purl/1727254. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727254,
title = {Materials Data on Ta5Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta and three equivalent Ni atoms. There are three shorter (2.77 Å) and three longer (3.06 Å) Ta–Ta bond lengths. All Ta–Ni bond lengths are 2.60 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to twelve Ta and two equivalent Ni atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Ta–Ta bond lengths. Both Ta–Ni bond lengths are 3.07 Å. Ni is bonded to twelve Ta atoms to form distorted face-sharing NiTa12 cuboctahedra.},
doi = {10.17188/1727254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}