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Title: Materials Data on La4Re6O19 by Materials Project

Abstract

La4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.58 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 53°. There are a spread of Re–O bond distances ranging from 1.99–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Re+4.33+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re+4.33+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4802
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; La4Re6O19; La-O-Re
OSTI Identifier:
1208409
DOI:
10.17188/1208409

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on La4Re6O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208409.
Persson, Kristin, & Project, Materials. Materials Data on La4Re6O19 by Materials Project. United States. doi:10.17188/1208409.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on La4Re6O19 by Materials Project". United States. doi:10.17188/1208409. https://www.osti.gov/servlets/purl/1208409. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1208409,
title = {Materials Data on La4Re6O19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {La4Re6O19 crystallizes in the cubic I23 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.48–2.58 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 53°. There are a spread of Re–O bond distances ranging from 1.99–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Re+4.33+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re+4.33+ atoms.},
doi = {10.17188/1208409},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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