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Title: Materials Data on Ce3Ta(ClO2)3 by Materials Project

Abstract

Ce3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.64 Å. There are a spread of Ce–Cl bond distances ranging from 3.03–3.06 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ce+3.33+ and one Ta5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce+3.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-558609
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; Ce3Ta(ClO2)3; Ce-Cl-O-Ta
OSTI Identifier:
1270421
DOI:
https://doi.org/10.17188/1270421

Citation Formats

The Materials Project. Materials Data on Ce3Ta(ClO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270421.
The Materials Project. Materials Data on Ce3Ta(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270421
The Materials Project. 2020. "Materials Data on Ce3Ta(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270421. https://www.osti.gov/servlets/purl/1270421. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1270421,
title = {Materials Data on Ce3Ta(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce3Ta(O2Cl)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ce+3.33+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Ce–O bond distances ranging from 2.34–2.64 Å. There are a spread of Ce–Cl bond distances ranging from 3.03–3.06 Å. Ta5+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ce+3.33+ and one Ta5+ atom. Cl1- is bonded in a 4-coordinate geometry to four equivalent Ce+3.33+ atoms.},
doi = {10.17188/1270421},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}