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Title: Materials Data on LiGd2RuO6 by Materials Project

Abstract

LiGd2RuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are two shorter (2.07 Å) and four longer (2.17 Å) Li–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.72 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Ru–O bond distances ranging from 1.98–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Gd3+, and one Ru5+ atom to form distorted corner-sharing OLiGd2Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Gd3+, and one Ru5+ atom.

Publication Date:
Other Number(s):
mp-1211045
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; LiGd2RuO6; Gd-Li-O-Ru
OSTI Identifier:
1710621
DOI:
https://doi.org/10.17188/1710621

Citation Formats

The Materials Project. Materials Data on LiGd2RuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710621.
The Materials Project. Materials Data on LiGd2RuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1710621
The Materials Project. 2020. "Materials Data on LiGd2RuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1710621. https://www.osti.gov/servlets/purl/1710621. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1710621,
title = {Materials Data on LiGd2RuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiGd2RuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are two shorter (2.07 Å) and four longer (2.17 Å) Li–O bond lengths. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.72 Å. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of Ru–O bond distances ranging from 1.98–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Gd3+, and one Ru5+ atom to form distorted corner-sharing OLiGd2Ru trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Li1+, three equivalent Gd3+, and one Ru5+ atom.},
doi = {10.17188/1710621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}