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Title: Materials Data on ErNiAs by Materials Project

Abstract

ErNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing ErNi6As6 cuboctahedra. All Er–Ni bond lengths are 2.91 Å. All Er–As bond lengths are 3.06 Å. In the second Er site, Er is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing ErNi6As6 cuboctahedra. All Er–Ni bond lengths are 3.12 Å. All Er–As bond lengths are 2.97 Å. Ni is bonded in a 3-coordinate geometry to six Er and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Er and three equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-1212933
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; ErNiAs; As-Er-Ni
OSTI Identifier:
1662718
DOI:
https://doi.org/10.17188/1662718

Citation Formats

The Materials Project. Materials Data on ErNiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662718.
The Materials Project. Materials Data on ErNiAs by Materials Project. United States. doi:https://doi.org/10.17188/1662718
The Materials Project. 2020. "Materials Data on ErNiAs by Materials Project". United States. doi:https://doi.org/10.17188/1662718. https://www.osti.gov/servlets/purl/1662718. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662718,
title = {Materials Data on ErNiAs by Materials Project},
author = {The Materials Project},
abstractNote = {ErNiAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing ErNi6As6 cuboctahedra. All Er–Ni bond lengths are 2.91 Å. All Er–As bond lengths are 3.06 Å. In the second Er site, Er is bonded to six equivalent Ni and six equivalent As atoms to form a mixture of edge and face-sharing ErNi6As6 cuboctahedra. All Er–Ni bond lengths are 3.12 Å. All Er–As bond lengths are 2.97 Å. Ni is bonded in a 3-coordinate geometry to six Er and three equivalent As atoms. All Ni–As bond lengths are 2.34 Å. As is bonded in a 3-coordinate geometry to six Er and three equivalent Ni atoms.},
doi = {10.17188/1662718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}