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Title: Materials Data on Na(RhO2)2 by Materials Project

Abstract

NaRh2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.07 Å. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are two shorter (2.04 Å) and four longer (2.06 Å) Rh–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 square pyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.50+ atoms to formmore » a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Rh+3.50+ atoms.« less

Publication Date:
Other Number(s):
mp-542675
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; Na(RhO2)2; Na-O-Rh
OSTI Identifier:
1266627
DOI:
https://doi.org/10.17188/1266627

Citation Formats

The Materials Project. Materials Data on Na(RhO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266627.
The Materials Project. Materials Data on Na(RhO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1266627
The Materials Project. 2020. "Materials Data on Na(RhO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1266627. https://www.osti.gov/servlets/purl/1266627. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1266627,
title = {Materials Data on Na(RhO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaRh2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.07 Å. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are two shorter (2.04 Å) and four longer (2.06 Å) Rh–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 square pyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Rh+3.50+ atoms.},
doi = {10.17188/1266627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}