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Title: Materials Data on ErZn12 by Materials Project

Abstract

ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.

Publication Date:
Other Number(s):
mp-30614
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; ErZn12; Er-Zn
OSTI Identifier:
1205001
DOI:
10.17188/1205001

Citation Formats

The Materials Project. Materials Data on ErZn12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205001.
The Materials Project. Materials Data on ErZn12 by Materials Project. United States. doi:10.17188/1205001.
The Materials Project. 2020. "Materials Data on ErZn12 by Materials Project". United States. doi:10.17188/1205001. https://www.osti.gov/servlets/purl/1205001. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205001,
title = {Materials Data on ErZn12 by Materials Project},
author = {The Materials Project},
abstractNote = {ErZn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.15–3.40 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to two equivalent Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.87 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form a mixture of corner, edge, and face-sharing ZnEr2Zn10 cuboctahedra. There are two shorter (2.59 Å) and four longer (2.73 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 10-coordinate geometry to one Er and nine Zn atoms. The Zn–Zn bond length is 2.60 Å.},
doi = {10.17188/1205001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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