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Title: Materials Data on Zr6Co16Si7 by Materials Project

Abstract

Zr6Co16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.90 Å. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are one shorter (2.38 Å) and three longer (2.51 Å) Co–Si bond lengths. In the second Co1+ site, Co1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.34 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Co1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Zr2+ and eight Co1+ atoms to form a mixture of face and corner-sharing SiZr4Co8 cuboctahedra.

Publication Date:
Other Number(s):
mp-672680
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; Zr6Co16Si7; Co-Si-Zr
OSTI Identifier:
1281899
DOI:
10.17188/1281899

Citation Formats

The Materials Project. Materials Data on Zr6Co16Si7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281899.
The Materials Project. Materials Data on Zr6Co16Si7 by Materials Project. United States. doi:10.17188/1281899.
The Materials Project. 2020. "Materials Data on Zr6Co16Si7 by Materials Project". United States. doi:10.17188/1281899. https://www.osti.gov/servlets/purl/1281899. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1281899,
title = {Materials Data on Zr6Co16Si7 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6Co16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.90 Å. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. There are one shorter (2.38 Å) and three longer (2.51 Å) Co–Si bond lengths. In the second Co1+ site, Co1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Co–Si bond lengths are 2.34 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Co1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Zr2+ and eight Co1+ atoms to form a mixture of face and corner-sharing SiZr4Co8 cuboctahedra.},
doi = {10.17188/1281899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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