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Title: Materials Data on Ta4Ni2C by Materials Project

Abstract

Ta4Ni2C 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 hexagonal planar geometry to six equivalent Ni atoms. All Ta–Ni bond lengths are 2.51 Å. In the second Ta site, Ta is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.80 Å) and two longer (3.06 Å) Ta–Ni bond lengths. Both Ta–C bond lengths are 2.18 Å. Ni is bonded in a 12-coordinate geometry to nine Ta and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.67 Å. C is bonded to six equivalent Ta atoms to form corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 37°.

Authors:
Publication Date:
Other Number(s):
mp-867754
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; Ta4Ni2C; C-Ni-Ta
OSTI Identifier:
1312139
DOI:
https://doi.org/10.17188/1312139

Citation Formats

The Materials Project. Materials Data on Ta4Ni2C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312139.
The Materials Project. Materials Data on Ta4Ni2C by Materials Project. United States. doi:https://doi.org/10.17188/1312139
The Materials Project. 2020. "Materials Data on Ta4Ni2C by Materials Project". United States. doi:https://doi.org/10.17188/1312139. https://www.osti.gov/servlets/purl/1312139. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1312139,
title = {Materials Data on Ta4Ni2C by Materials Project},
author = {The Materials Project},
abstractNote = {Ta4Ni2C 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 hexagonal planar geometry to six equivalent Ni atoms. All Ta–Ni bond lengths are 2.51 Å. In the second Ta site, Ta is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.80 Å) and two longer (3.06 Å) Ta–Ni bond lengths. Both Ta–C bond lengths are 2.18 Å. Ni is bonded in a 12-coordinate geometry to nine Ta and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.67 Å. C is bonded to six equivalent Ta atoms to form corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 37°.},
doi = {10.17188/1312139},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}