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Title: Materials Data on Sr2RuO6 by Materials Project

Abstract

Sr2RuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.66 Å. Ru is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.79 Å) and two longer (2.04 Å) Ru–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr, one Ru, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Sr and one Ru atom. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sr and one O atom.

Authors:
Publication Date:
Other Number(s):
mp-675618
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; Sr2RuO6; O-Ru-Sr
OSTI Identifier:
1282772
DOI:
https://doi.org/10.17188/1282772

Citation Formats

The Materials Project. Materials Data on Sr2RuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282772.
The Materials Project. Materials Data on Sr2RuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1282772
The Materials Project. 2020. "Materials Data on Sr2RuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1282772. https://www.osti.gov/servlets/purl/1282772. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282772,
title = {Materials Data on Sr2RuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2RuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.66 Å. Ru is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.79 Å) and two longer (2.04 Å) Ru–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr, one Ru, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Sr and one Ru atom. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sr and one O atom.},
doi = {10.17188/1282772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}