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

Title: Materials Data on Sr2GdRuO6 by Materials Project

Abstract

Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.95 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There are four shorter (2.27 Å) and two longer (2.28 Å) Gd–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Ru5+ atom to form distorted corner-sharing OSr2GdRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-16796
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; Sr2GdRuO6; Gd-O-Ru-Sr
OSTI Identifier:
1192176
DOI:
https://doi.org/10.17188/1192176

Citation Formats

The Materials Project. Materials Data on Sr2GdRuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192176.
The Materials Project. Materials Data on Sr2GdRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1192176
The Materials Project. 2020. "Materials Data on Sr2GdRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1192176. https://www.osti.gov/servlets/purl/1192176. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192176,
title = {Materials Data on Sr2GdRuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2GdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.95 Å. Gd3+ is bonded to six O2- atoms to form GdO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There are four shorter (2.27 Å) and two longer (2.28 Å) Gd–O bond lengths. Ru5+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 25–27°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ru–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Gd3+, and one Ru5+ atom to form distorted corner-sharing OSr2GdRu tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Gd3+, and one Ru5+ atom.},
doi = {10.17188/1192176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}