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Title: Materials Data on La7(RuO6)3 by Materials Project

Abstract

La7Ru3O18 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three 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 2.46–2.62 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.68 Å. In the third 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 2.40–2.79 Å. There are three inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ru–O bond distances ranging from 1.98–2.01 Å. In the second Ru5+ site, Ru5+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.94 Å) and three longer (2.04 Å) Ru–O bond length. In the third Ru5+ site, Ru5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ru–O bond lengths are 1.99 Å. There are six inequivalent O2- sites. In the first O2-more » site, O2- is bonded to three La3+ and one Ru5+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ru5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to three La3+ and one Ru5+ atom. In the fifth O2- site, O2- is bonded to three La3+ and one Ru5+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ru5+ atom.« less

Publication Date:
Other Number(s):
mp-555890
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; La7(RuO6)3; La-O-Ru
OSTI Identifier:
1269044
DOI:
10.17188/1269044

Citation Formats

The Materials Project. Materials Data on La7(RuO6)3 by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1269044.
The Materials Project. Materials Data on La7(RuO6)3 by Materials Project. United States. doi:10.17188/1269044.
The Materials Project. 2016. "Materials Data on La7(RuO6)3 by Materials Project". United States. doi:10.17188/1269044. https://www.osti.gov/servlets/purl/1269044. Pub date:Sat Jul 23 00:00:00 EDT 2016
@article{osti_1269044,
title = {Materials Data on La7(RuO6)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La7Ru3O18 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three 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 2.46–2.62 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.68 Å. In the third 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 2.40–2.79 Å. There are three inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ru–O bond distances ranging from 1.98–2.01 Å. In the second Ru5+ site, Ru5+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.94 Å) and three longer (2.04 Å) Ru–O bond length. In the third Ru5+ site, Ru5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ru–O bond lengths are 1.99 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three La3+ and one Ru5+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four La3+ and one Ru5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a distorted see-saw-like geometry to three La3+ and one Ru5+ atom. In the fifth O2- site, O2- is bonded to three La3+ and one Ru5+ atom to form a mixture of distorted edge and corner-sharing OLa3Ru tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Ru5+ atom.},
doi = {10.17188/1269044},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}

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