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Title: Materials Data on Zr6Ni16Ge7 by Materials Project

Abstract

Zr6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zr–Ni bond lengths. All Zr–Ge bond lengths are 2.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Zr, six Ni, and four Ge atoms. There are three shorter (2.62 Å) and three longer (2.77 Å) Ni–Ni bond lengths. There are one shorter (2.40 Å) and three longer (2.58 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr, six Ni, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.68 Å. All Ni–Ge bond lengths are 2.39 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 Zr and eight Ni atoms to form a mixture of corner and face-sharing GeZr4Ni8 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-672651
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; Zr6Ni16Ge7; Ge-Ni-Zr
OSTI Identifier:
1281886
DOI:
10.17188/1281886

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zr6Ni16Ge7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281886.
Persson, Kristin, & Project, Materials. Materials Data on Zr6Ni16Ge7 by Materials Project. United States. doi:10.17188/1281886.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zr6Ni16Ge7 by Materials Project". United States. doi:10.17188/1281886. https://www.osti.gov/servlets/purl/1281886. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1281886,
title = {Materials Data on Zr6Ni16Ge7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zr6Ni16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Ni and four equivalent Ge atoms. There are four shorter (2.83 Å) and four longer (2.84 Å) Zr–Ni bond lengths. All Zr–Ge bond lengths are 2.97 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to three equivalent Zr, six Ni, and four Ge atoms. There are three shorter (2.62 Å) and three longer (2.77 Å) Ni–Ni bond lengths. There are one shorter (2.40 Å) and three longer (2.58 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Zr, six Ni, and three equivalent Ge atoms. All Ni–Ni bond lengths are 2.68 Å. All Ni–Ge bond lengths are 2.39 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 Zr and eight Ni atoms to form a mixture of corner and face-sharing GeZr4Ni8 cuboctahedra.},
doi = {10.17188/1281886},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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