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Title: Materials Data on K2OsO5 by Materials Project

Abstract

K2OsO5 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.34 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.21 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.26 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.10 Å. In the fifth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.84 Å) and three longer (3.07 Å) K–O bond lengths. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.79–1.84 Å. In the second Os8+ site,more » Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.79–1.83 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the seventh O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-762088
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; K2OsO5; K-O-Os
OSTI Identifier:
1292442
DOI:
https://doi.org/10.17188/1292442

Citation Formats

The Materials Project. Materials Data on K2OsO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292442.
The Materials Project. Materials Data on K2OsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1292442
The Materials Project. 2020. "Materials Data on K2OsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1292442. https://www.osti.gov/servlets/purl/1292442. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1292442,
title = {Materials Data on K2OsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2OsO5 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.34 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.80–3.21 Å. In the third K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.26 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.57–3.10 Å. In the fifth K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (2.84 Å) and three longer (3.07 Å) K–O bond lengths. There are two inequivalent Os8+ sites. In the first Os8+ site, Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.79–1.84 Å. In the second Os8+ site, Os8+ is bonded in a trigonal bipyramidal geometry to five O2- atoms. There are a spread of Os–O bond distances ranging from 1.79–1.83 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four K1+ and one Os8+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Os8+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one Os8+ atom. In the sixth O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the seventh O2- site, O2- is bonded to three K1+ and one Os8+ atom to form a mixture of distorted edge and corner-sharing OK3Os tetrahedra. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Os8+ atom.},
doi = {10.17188/1292442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}