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Title: Materials Data on Na3OsO5 by Materials Project

Abstract

Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.

Publication Date:
Other Number(s):
mp-555476
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; Na3OsO5; Na-O-Os
OSTI Identifier:
1268822
DOI:
10.17188/1268822

Citation Formats

The Materials Project. Materials Data on Na3OsO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268822.
The Materials Project. Materials Data on Na3OsO5 by Materials Project. United States. doi:10.17188/1268822.
The Materials Project. 2020. "Materials Data on Na3OsO5 by Materials Project". United States. doi:10.17188/1268822. https://www.osti.gov/servlets/purl/1268822. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1268822,
title = {Materials Data on Na3OsO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3OsO5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–2.79 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with two equivalent NaO6 pentagonal pyramids and corners with six equivalent OsO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.33–2.79 Å. Os7+ is bonded to five O2- atoms to form OsO5 trigonal bipyramids that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Os–O bond distances ranging from 1.79–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to four Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded to three Na1+ and one Os7+ atom to form distorted corner-sharing ONa3Os tetrahedra.},
doi = {10.17188/1268822},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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