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Title: Materials Data on ErClO by Materials Project

Abstract

ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.

Publication Date:
Other Number(s):
mp-755689
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; ErClO; Cl-Er-O
OSTI Identifier:
1290158
DOI:
10.17188/1290158

Citation Formats

The Materials Project. Materials Data on ErClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290158.
The Materials Project. Materials Data on ErClO by Materials Project. United States. doi:10.17188/1290158.
The Materials Project. 2020. "Materials Data on ErClO by Materials Project". United States. doi:10.17188/1290158. https://www.osti.gov/servlets/purl/1290158. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1290158,
title = {Materials Data on ErClO by Materials Project},
author = {The Materials Project},
abstractNote = {ErOCl crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ErOCl sheet oriented in the (0, 0, 1) direction. Er3+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form a mixture of distorted edge and corner-sharing ErCl2O4 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.22 Å) and two longer (2.28 Å) Er–O bond lengths. Both Er–Cl bond lengths are 2.66 Å. O2- is bonded to four equivalent Er3+ atoms to form a mixture of edge and corner-sharing OEr4 tetrahedra. Cl1- is bonded in an L-shaped geometry to two equivalent Er3+ atoms.},
doi = {10.17188/1290158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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