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Title: Materials Data on Sr(RhO2)4 by Materials Project

Abstract

Sr(RhO2)4 is pyrite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.71 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 56–61°. There are three shorter (2.00 Å) and three longer (2.09 Å) Rh–O bond lengths. 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 56–61°. There are a spread of Rh–O bond distances ranging from 1.94–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Rh+3.50+ atoms. In the fourth O2- site, O2-more » is bonded to one Sr2+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSrRh3 trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-1218903
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; Sr(RhO2)4; O-Rh-Sr
OSTI Identifier:
1734145
DOI:
https://doi.org/10.17188/1734145

Citation Formats

The Materials Project. Materials Data on Sr(RhO2)4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734145.
The Materials Project. Materials Data on Sr(RhO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1734145
The Materials Project. 2019. "Materials Data on Sr(RhO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1734145. https://www.osti.gov/servlets/purl/1734145. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1734145,
title = {Materials Data on Sr(RhO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr(RhO2)4 is pyrite-derived structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.71 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 56–61°. There are three shorter (2.00 Å) and three longer (2.09 Å) Rh–O bond lengths. 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 56–61°. There are a spread of Rh–O bond distances ranging from 1.94–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Rh+3.50+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three equivalent Rh+3.50+ atoms. In the fourth O2- site, O2- is bonded to one Sr2+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing OSrRh3 trigonal pyramids.},
doi = {10.17188/1734145},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}