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Title: Materials Data on Er(ClO2)3 by Materials Project

Abstract

Er(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Er(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a distorted octahedral geometry to six O atoms. All Er–O bond lengths are 2.25 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.

Authors:
Publication Date:
Other Number(s):
mp-1181421
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er(ClO2)3; Cl-Er-O
OSTI Identifier:
1681238
DOI:
https://doi.org/10.17188/1681238

Citation Formats

The Materials Project. Materials Data on Er(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681238.
The Materials Project. Materials Data on Er(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1681238
The Materials Project. 2020. "Materials Data on Er(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1681238. https://www.osti.gov/servlets/purl/1681238. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681238,
title = {Materials Data on Er(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Er(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Er(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a distorted octahedral geometry to six O atoms. All Er–O bond lengths are 2.25 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Er and one Cl atom. The O–Cl bond length is 1.57 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a bent 120 degrees geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.},
doi = {10.17188/1681238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}