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Title: Materials Data on ErHCl by Materials Project

Abstract

ErHCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ErHCl sheets oriented in the (0, 0, 1) direction. Er is bonded in a 7-coordinate geometry to four equivalent H and three equivalent Cl atoms. There are one shorter (2.18 Å) and three longer (2.20 Å) Er–H bond lengths. All Er–Cl bond lengths are 2.73 Å. H is bonded to four equivalent Er atoms to form a mixture of corner and edge-sharing HEr4 tetrahedra. Cl is bonded in a distorted T-shaped geometry to three equivalent Er atoms.

Publication Date:
Other Number(s):
mp-24051
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; ErHCl; Cl-Er-H
OSTI Identifier:
1199882
DOI:
https://doi.org/10.17188/1199882

Citation Formats

The Materials Project. Materials Data on ErHCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199882.
The Materials Project. Materials Data on ErHCl by Materials Project. United States. doi:https://doi.org/10.17188/1199882
The Materials Project. 2020. "Materials Data on ErHCl by Materials Project". United States. doi:https://doi.org/10.17188/1199882. https://www.osti.gov/servlets/purl/1199882. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199882,
title = {Materials Data on ErHCl by Materials Project},
author = {The Materials Project},
abstractNote = {ErHCl crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ErHCl sheets oriented in the (0, 0, 1) direction. Er is bonded in a 7-coordinate geometry to four equivalent H and three equivalent Cl atoms. There are one shorter (2.18 Å) and three longer (2.20 Å) Er–H bond lengths. All Er–Cl bond lengths are 2.73 Å. H is bonded to four equivalent Er atoms to form a mixture of corner and edge-sharing HEr4 tetrahedra. Cl is bonded in a distorted T-shaped geometry to three equivalent Er atoms.},
doi = {10.17188/1199882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}