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Title: Materials Data on Hf6Co16Si7 by Materials Project

Abstract

Hf6Co16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to eight Co and four equivalent Si atoms. All Hf–Co bond lengths are 2.76 Å. All Hf–Si bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to three equivalent Hf, six Co, and four Si atoms. There are three shorter (2.51 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.49 Å) Co–Si bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Hf, six Co, and three equivalent Si atoms. All Co–Co bond lengths are 2.54 Å. All Co–Si bond lengths are 2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Si site, Si is bonded to four equivalent Hf and eight Co atoms to form a mixture of corner and face-sharing SiHf4Co8 cuboctahedra.

Publication Date:
Other Number(s):
mp-672689
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; Hf6Co16Si7; Co-Hf-Si
OSTI Identifier:
1281903
DOI:
10.17188/1281903

Citation Formats

The Materials Project. Materials Data on Hf6Co16Si7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281903.
The Materials Project. Materials Data on Hf6Co16Si7 by Materials Project. United States. doi:10.17188/1281903.
The Materials Project. 2020. "Materials Data on Hf6Co16Si7 by Materials Project". United States. doi:10.17188/1281903. https://www.osti.gov/servlets/purl/1281903. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1281903,
title = {Materials Data on Hf6Co16Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf6Co16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to eight Co and four equivalent Si atoms. All Hf–Co bond lengths are 2.76 Å. All Hf–Si bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 7-coordinate geometry to three equivalent Hf, six Co, and four Si atoms. There are three shorter (2.51 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.49 Å) Co–Si bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Hf, six Co, and three equivalent Si atoms. All Co–Co bond lengths are 2.54 Å. All Co–Si bond lengths are 2.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Si site, Si is bonded to four equivalent Hf and eight Co atoms to form a mixture of corner and face-sharing SiHf4Co8 cuboctahedra.},
doi = {10.17188/1281903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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