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Title: Materials Data on ErH3 by Materials Project

Abstract

ErH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Er3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Er–H bond distances ranging from 2.11–2.47 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms. In the second H1- site, H1- is bonded to four equivalent Er3+ atoms to form a mixture of distorted corner, edge, and face-sharing HEr4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms.

Publication Date:
Other Number(s):
mp-1190750
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; ErH3; Er-H
OSTI Identifier:
1747060
DOI:
https://doi.org/10.17188/1747060

Citation Formats

The Materials Project. Materials Data on ErH3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747060.
The Materials Project. Materials Data on ErH3 by Materials Project. United States. doi:https://doi.org/10.17188/1747060
The Materials Project. 2020. "Materials Data on ErH3 by Materials Project". United States. doi:https://doi.org/10.17188/1747060. https://www.osti.gov/servlets/purl/1747060. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1747060,
title = {Materials Data on ErH3 by Materials Project},
author = {The Materials Project},
abstractNote = {ErH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Er3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Er–H bond distances ranging from 2.11–2.47 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms. In the second H1- site, H1- is bonded to four equivalent Er3+ atoms to form a mixture of distorted corner, edge, and face-sharing HEr4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Er3+ atoms.},
doi = {10.17188/1747060},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}