skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on La3(ReO5)2 by Materials Project

Abstract

La3(ReO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.79 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.58 Å. Re+5.50+ is bonded to six O2- atoms to form edge-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.89–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Re+5.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re+5.50+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Re+5.50+ atoms. In the fourth O2- site, O2- is bonded to three La3+ and one Re+5.50+ atom to form a mixture of corner and edge-sharing OLa3Re tetrahedra.

Publication Date:
Other Number(s):
mp-29326
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; La3(ReO5)2; La-O-Re
OSTI Identifier:
1203685
DOI:
https://doi.org/10.17188/1203685

Citation Formats

The Materials Project. Materials Data on La3(ReO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203685.
The Materials Project. Materials Data on La3(ReO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203685
The Materials Project. 2020. "Materials Data on La3(ReO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203685. https://www.osti.gov/servlets/purl/1203685. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203685,
title = {Materials Data on La3(ReO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {La3(ReO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.39–2.79 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.58 Å. Re+5.50+ is bonded to six O2- atoms to form edge-sharing ReO6 octahedra. There are a spread of Re–O bond distances ranging from 1.89–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent La3+ and one Re+5.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three La3+ and one Re+5.50+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+ and two equivalent Re+5.50+ atoms. In the fourth O2- site, O2- is bonded to three La3+ and one Re+5.50+ atom to form a mixture of corner and edge-sharing OLa3Re tetrahedra.},
doi = {10.17188/1203685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}