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

Title: Materials Data on ZrCoSi by Materials Project

Abstract

ZrCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.77–2.79 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are three shorter (2.35 Å) and one longer (2.50 Å) Co–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Co2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1102565
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; ZrCoSi; Co-Si-Zr
OSTI Identifier:
1731404
DOI:
https://doi.org/10.17188/1731404

Citation Formats

The Materials Project. Materials Data on ZrCoSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731404.
The Materials Project. Materials Data on ZrCoSi by Materials Project. United States. doi:https://doi.org/10.17188/1731404
The Materials Project. 2020. "Materials Data on ZrCoSi by Materials Project". United States. doi:https://doi.org/10.17188/1731404. https://www.osti.gov/servlets/purl/1731404. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731404,
title = {Materials Data on ZrCoSi by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr2+ is bonded to five equivalent Si4- atoms to form distorted ZrSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are a spread of Zr–Si bond distances ranging from 2.77–2.79 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent ZrSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent ZrSi5 trigonal bipyramids. There are three shorter (2.35 Å) and one longer (2.50 Å) Co–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Zr2+ and four equivalent Co2+ atoms.},
doi = {10.17188/1731404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}