DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zr6Co23 by Materials Project

Abstract

Co23Zr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Zr–Co bond distances ranging from 2.76–2.91 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to three equivalent Zr and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.35–2.51 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Co–Co bond lengths are 2.41 Å. In the third Co site, Co is bonded to four equivalent Zr and eight Co atoms to form a mixture of face and corner-sharing CoZr4Co8 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to three equivalent Zr and ten Co atoms. All Co–Co bond lengths are 2.79 Å.

Authors:
Publication Date:
Other Number(s):
mp-30569
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; Zr6Co23; Co-Zr
OSTI Identifier:
1204960
DOI:
https://doi.org/10.17188/1204960

Citation Formats

The Materials Project. Materials Data on Zr6Co23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204960.
The Materials Project. Materials Data on Zr6Co23 by Materials Project. United States. doi:https://doi.org/10.17188/1204960
The Materials Project. 2020. "Materials Data on Zr6Co23 by Materials Project". United States. doi:https://doi.org/10.17188/1204960. https://www.osti.gov/servlets/purl/1204960. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1204960,
title = {Materials Data on Zr6Co23 by Materials Project},
author = {The Materials Project},
abstractNote = {Co23Zr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Zr–Co bond distances ranging from 2.76–2.91 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to three equivalent Zr and nine Co atoms. There are a spread of Co–Co bond distances ranging from 2.35–2.51 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Co–Co bond lengths are 2.41 Å. In the third Co site, Co is bonded to four equivalent Zr and eight Co atoms to form a mixture of face and corner-sharing CoZr4Co8 cuboctahedra. All Co–Co bond lengths are 2.52 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to three equivalent Zr and ten Co atoms. All Co–Co bond lengths are 2.79 Å.},
doi = {10.17188/1204960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}