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Title: Materials Data on K2H2RuO5 by Materials Project

Abstract

K2RuH2O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.10 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.91 Å. Ru6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Ru–O bond distances ranging from 1.77–2.08 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ru6+, and one H1+ atom. In the thirdmore » O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Ru6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ru6+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Ru6+ atom.« less

Publication Date:
Other Number(s):
mp-696941
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; K2H2RuO5; H-K-O-Ru
OSTI Identifier:
1285068
DOI:
10.17188/1285068

Citation Formats

The Materials Project. Materials Data on K2H2RuO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285068.
The Materials Project. Materials Data on K2H2RuO5 by Materials Project. United States. doi:10.17188/1285068.
The Materials Project. 2020. "Materials Data on K2H2RuO5 by Materials Project". United States. doi:10.17188/1285068. https://www.osti.gov/servlets/purl/1285068. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1285068,
title = {Materials Data on K2H2RuO5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2RuH2O5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.73–3.10 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.68–2.91 Å. Ru6+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Ru–O bond distances ranging from 1.77–2.08 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Ru6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ru6+, and one H1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Ru6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ru6+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one Ru6+ atom.},
doi = {10.17188/1285068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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