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Title: Materials Data on K2RuO5 by Materials Project

Abstract

K2RuO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.68–3.09 Å. In the second K site, K is bonded in a 5-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.18 Å. Ru is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Ru–O bond distances ranging from 1.77–1.84 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom. In the second O site, O is bonded in a 5-coordinate geometry to four K and one Ru atom. In the third O site, O is bonded in a 1-coordinate geometry to two K and one Ru atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom.

Publication Date:
Other Number(s):
mp-1201514
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; K2RuO5; K-O-Ru
OSTI Identifier:
1707080
DOI:
https://doi.org/10.17188/1707080

Citation Formats

The Materials Project. Materials Data on K2RuO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707080.
The Materials Project. Materials Data on K2RuO5 by Materials Project. United States. doi:https://doi.org/10.17188/1707080
The Materials Project. 2020. "Materials Data on K2RuO5 by Materials Project". United States. doi:https://doi.org/10.17188/1707080. https://www.osti.gov/servlets/purl/1707080. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707080,
title = {Materials Data on K2RuO5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2RuO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.68–3.09 Å. In the second K site, K is bonded in a 5-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.66–3.18 Å. Ru is bonded in a trigonal bipyramidal geometry to five O atoms. There are a spread of Ru–O bond distances ranging from 1.77–1.84 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom. In the second O site, O is bonded in a 5-coordinate geometry to four K and one Ru atom. In the third O site, O is bonded in a 1-coordinate geometry to two K and one Ru atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three K and one Ru atom.},
doi = {10.17188/1707080},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}