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Title: Materials Data on Ce4Re6O19 by Materials Project

Abstract

Ce4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–2.54 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Ce3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re+4.33+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213901
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; Ce4Re6O19; Ce-O-Re
OSTI Identifier:
1758500
DOI:
https://doi.org/10.17188/1758500

Citation Formats

The Materials Project. Materials Data on Ce4Re6O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758500.
The Materials Project. Materials Data on Ce4Re6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1758500
The Materials Project. 2020. "Materials Data on Ce4Re6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1758500. https://www.osti.gov/servlets/purl/1758500. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758500,
title = {Materials Data on Ce4Re6O19 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ce3+ is bonded in a 10-coordinate geometry to seven O2- atoms. There are a spread of Ce–O bond distances ranging from 2.44–2.54 Å. Re+4.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Re–O bond distances ranging from 1.99–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Re+4.33+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Ce3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+ and two equivalent Re+4.33+ atoms.},
doi = {10.17188/1758500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}