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Title: Materials Data on Zr6Co16Ge7 by Materials Project

Abstract

Zr6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.81 Å) and four longer (2.82 Å) Zr–Co bond lengths. All Zr–Ge bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to three equivalent Zr, six Co, and four Ge atoms. There are three shorter (2.55 Å) and three longer (2.80 Å) Co–Co bond lengths. There are one shorter (2.42 Å) and three longer (2.54 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Zr, six Co, and three equivalent Ge atoms. All Co–Co bond lengths are 2.62 Å. All Co–Ge bond lengths are 2.36 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Ge site, Ge is bonded to four equivalent Zr and eight Co atoms to form a mixture of corner and face-sharing GeZr4Co8 cuboctahedra.

Publication Date:
Other Number(s):
mp-672654
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; Zr6Co16Ge7; Co-Ge-Zr
OSTI Identifier:
1281889
DOI:
10.17188/1281889

Citation Formats

The Materials Project. Materials Data on Zr6Co16Ge7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281889.
The Materials Project. Materials Data on Zr6Co16Ge7 by Materials Project. United States. doi:10.17188/1281889.
The Materials Project. 2020. "Materials Data on Zr6Co16Ge7 by Materials Project". United States. doi:10.17188/1281889. https://www.osti.gov/servlets/purl/1281889. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1281889,
title = {Materials Data on Zr6Co16Ge7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.81 Å) and four longer (2.82 Å) Zr–Co bond lengths. All Zr–Ge bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to three equivalent Zr, six Co, and four Ge atoms. There are three shorter (2.55 Å) and three longer (2.80 Å) Co–Co bond lengths. There are one shorter (2.42 Å) and three longer (2.54 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Zr, six Co, and three equivalent Ge atoms. All Co–Co bond lengths are 2.62 Å. All Co–Ge bond lengths are 2.36 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Ge site, Ge is bonded to four equivalent Zr and eight Co atoms to form a mixture of corner and face-sharing GeZr4Co8 cuboctahedra.},
doi = {10.17188/1281889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

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