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Title: Materials Data on Na3H2OsO6 by Materials Project

Abstract

Na3OsH2O6 crystallizes in the monoclinic P2_1/m 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 five O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.79 Å. Os7+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Os–O bond distances ranging from 1.80–2.18 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to three Na1+ and one Os7+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Os7+, andmore » one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1191727
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; Na3H2OsO6; H-Na-O-Os
OSTI Identifier:
1664370
DOI:
https://doi.org/10.17188/1664370

Citation Formats

The Materials Project. Materials Data on Na3H2OsO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1664370.
The Materials Project. Materials Data on Na3H2OsO6 by Materials Project. United States. doi:https://doi.org/10.17188/1664370
The Materials Project. 2019. "Materials Data on Na3H2OsO6 by Materials Project". United States. doi:https://doi.org/10.17188/1664370. https://www.osti.gov/servlets/purl/1664370. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1664370,
title = {Materials Data on Na3H2OsO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3OsH2O6 crystallizes in the monoclinic P2_1/m 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 five O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.79 Å. Os7+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Os–O bond distances ranging from 1.80–2.18 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Os7+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Na1+ and one Os7+ atom. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to three Na1+ and one Os7+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Na1+, one Os7+, and one H1+ atom.},
doi = {10.17188/1664370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}