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Title: Materials Data on Ta6Ni16Ge7 by Materials Project

Abstract

Ta6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.72 Å) and four longer (2.84 Å) Ta–Ni bond lengths. All Ta–Ge bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ta, six Ni, and four Ge atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.54 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ta and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTa4Ni8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-582719
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; Ta6Ni16Ge7; Ge-Ni-Ta
OSTI Identifier:
1276999
DOI:
https://doi.org/10.17188/1276999

Citation Formats

The Materials Project. Materials Data on Ta6Ni16Ge7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276999.
The Materials Project. Materials Data on Ta6Ni16Ge7 by Materials Project. United States. doi:https://doi.org/10.17188/1276999
The Materials Project. 2020. "Materials Data on Ta6Ni16Ge7 by Materials Project". United States. doi:https://doi.org/10.17188/1276999. https://www.osti.gov/servlets/purl/1276999. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1276999,
title = {Materials Data on Ta6Ni16Ge7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.72 Å) and four longer (2.84 Å) Ta–Ni bond lengths. All Ta–Ge bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 1-coordinate geometry to three equivalent Ta, six Ni, and four Ge atoms. There are three shorter (2.61 Å) and three longer (2.69 Å) Ni–Ni bond lengths. There are one shorter (2.33 Å) and three longer (2.54 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ta, three equivalent Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.34 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Ta and eight Ni atoms to form a mixture of distorted face and corner-sharing GeTa4Ni8 cuboctahedra.},
doi = {10.17188/1276999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}