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Title: Materials Data on Zr6CoAs2 by Materials Project

Abstract

Zr6CoAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent As atoms. Both Zr–Co bond lengths are 2.58 Å. Both Zr–As bond lengths are 2.89 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Co and four equivalent As atoms. The Zr–Co bond length is 3.12 Å. All Zr–As bond lengths are 2.89 Å. Co is bonded in a 6-coordinate geometry to nine Zr atoms. As is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:
Publication Date:
Other Number(s):
mp-29135
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; Zr6CoAs2; As-Co-Zr
OSTI Identifier:
1203268
DOI:
https://doi.org/10.17188/1203268

Citation Formats

The Materials Project. Materials Data on Zr6CoAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203268.
The Materials Project. Materials Data on Zr6CoAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1203268
The Materials Project. 2020. "Materials Data on Zr6CoAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1203268. https://www.osti.gov/servlets/purl/1203268. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203268,
title = {Materials Data on Zr6CoAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr6CoAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent As atoms. Both Zr–Co bond lengths are 2.58 Å. Both Zr–As bond lengths are 2.89 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Co and four equivalent As atoms. The Zr–Co bond length is 3.12 Å. All Zr–As bond lengths are 2.89 Å. Co is bonded in a 6-coordinate geometry to nine Zr atoms. As is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1203268},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}