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Title: Materials Data on Sr4Ru2O9 by Materials Project

Abstract

Sr4Ru2O9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.01 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.92 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.89 Å. There are three inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There is three shorter (1.92 Å) and three longer (2.06 Å) Ru–O bond length. In the second Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There is three shorter (1.88 Å) and three longer (2.11 Å) Ru–O bond length. In the third Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There are three shorter (1.92 Å) and three longer (2.11 Å) Ru–O bondmore » lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Ru5+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the fifth O2- site, O2- is bonded to four Sr2+ and two equivalent Ru5+ atoms to form distorted face-sharing OSr4Ru2 octahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-36836
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; Sr4Ru2O9; O-Ru-Sr
OSTI Identifier:
1207252
DOI:
10.17188/1207252

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr4Ru2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207252.
Persson, Kristin, & Project, Materials. Materials Data on Sr4Ru2O9 by Materials Project. United States. doi:10.17188/1207252.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr4Ru2O9 by Materials Project". United States. doi:10.17188/1207252. https://www.osti.gov/servlets/purl/1207252. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207252,
title = {Materials Data on Sr4Ru2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr4Ru2O9 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.01 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.92 Å. In the third Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.89 Å. There are three inequivalent Ru5+ sites. In the first Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There is three shorter (1.92 Å) and three longer (2.06 Å) Ru–O bond length. In the second Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There is three shorter (1.88 Å) and three longer (2.11 Å) Ru–O bond length. In the third Ru5+ site, Ru5+ is bonded to six O2- atoms to form face-sharing RuO6 octahedra. There are three shorter (1.92 Å) and three longer (2.11 Å) Ru–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Ru5+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ru5+ atom. In the fifth O2- site, O2- is bonded to four Sr2+ and two equivalent Ru5+ atoms to form distorted face-sharing OSr4Ru2 octahedra.},
doi = {10.17188/1207252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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