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

Title: Materials Data on Zn13Co by Materials Project

Abstract

CoZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with two equivalent CoZn12 cuboctahedra and faces with two equivalent ZnZn10Co2 cuboctahedra. There are a spread of Co–Zn bond distances ranging from 2.53–2.62 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Co and ten Zn atoms to form distorted ZnZn10Co2 cuboctahedra that share corners with two equivalent ZnZn10Co2 cuboctahedra and faces with two equivalent CoZn12 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.78 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.77 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.89 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Co and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.86 Å. In the fifth Zn site, Znmore » is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are one shorter (2.55 Å) and one longer (2.73 Å) Zn–Zn bond lengths.« less

Authors:
Publication Date:
Other Number(s):
mp-30568
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; Zn13Co; Co-Zn
OSTI Identifier:
1204959
DOI:
https://doi.org/10.17188/1204959

Citation Formats

The Materials Project. Materials Data on Zn13Co by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204959.
The Materials Project. Materials Data on Zn13Co by Materials Project. United States. doi:https://doi.org/10.17188/1204959
The Materials Project. 2020. "Materials Data on Zn13Co by Materials Project". United States. doi:https://doi.org/10.17188/1204959. https://www.osti.gov/servlets/purl/1204959. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204959,
title = {Materials Data on Zn13Co by Materials Project},
author = {The Materials Project},
abstractNote = {CoZn13 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Co is bonded to twelve Zn atoms to form CoZn12 cuboctahedra that share corners with two equivalent CoZn12 cuboctahedra and faces with two equivalent ZnZn10Co2 cuboctahedra. There are a spread of Co–Zn bond distances ranging from 2.53–2.62 Å. There are five inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Co and ten Zn atoms to form distorted ZnZn10Co2 cuboctahedra that share corners with two equivalent ZnZn10Co2 cuboctahedra and faces with two equivalent CoZn12 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.78 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.77 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.69–2.89 Å. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Co and nine Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.62–2.86 Å. In the fifth Zn site, Zn is bonded in a 1-coordinate geometry to one Co and ten Zn atoms. There are one shorter (2.55 Å) and one longer (2.73 Å) Zn–Zn bond lengths.},
doi = {10.17188/1204959},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}