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Title: Materials Data on Ir2Ru2O5 by Materials Project

Abstract

RuRuIr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ruthenium molecule and one RuIr2O5 sheet oriented in the (0, 0, 1) direction. In the RuIr2O5 sheet, Ru2+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing RuO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.42 Å) Ru–O bond lengths. Ir3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ir–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ru2+ and two equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing OIr2Ru2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ru2+ atoms.

Publication Date:
Other Number(s):
mp-1184803
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; Ir2Ru2O5; Ir-O-Ru
OSTI Identifier:
1684572
DOI:
https://doi.org/10.17188/1684572

Citation Formats

The Materials Project. Materials Data on Ir2Ru2O5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684572.
The Materials Project. Materials Data on Ir2Ru2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1684572
The Materials Project. 2019. "Materials Data on Ir2Ru2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1684572. https://www.osti.gov/servlets/purl/1684572. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1684572,
title = {Materials Data on Ir2Ru2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {RuRuIr2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ruthenium molecule and one RuIr2O5 sheet oriented in the (0, 0, 1) direction. In the RuIr2O5 sheet, Ru2+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing RuO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.42 Å) Ru–O bond lengths. Ir3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Ir–O bond lengths are 2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ru2+ and two equivalent Ir3+ atoms to form a mixture of distorted edge and corner-sharing OIr2Ru2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ru2+ atoms.},
doi = {10.17188/1684572},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}