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Title: Materials Data on Rb4SnO3 by Materials Project

Abstract

Rb4SnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–2.96 Å. In the second Rb1+ site, Rb1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.82–3.29 Å. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing RbO5 square pyramids. There are a spread of Rb–O bond distances ranging from 2.88–3.04 Å. In the fourth Rb1+ site, Rb1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) Rb–O bond lengths. Sn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and onemore » Sn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn2+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-756570
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; Rb4SnO3; O-Rb-Sn
OSTI Identifier:
1290559
DOI:
https://doi.org/10.17188/1290559

Citation Formats

The Materials Project. Materials Data on Rb4SnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290559.
The Materials Project. Materials Data on Rb4SnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290559
The Materials Project. 2020. "Materials Data on Rb4SnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290559. https://www.osti.gov/servlets/purl/1290559. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290559,
title = {Materials Data on Rb4SnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4SnO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–2.96 Å. In the second Rb1+ site, Rb1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing RbO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.82–3.29 Å. In the third Rb1+ site, Rb1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing RbO5 square pyramids. There are a spread of Rb–O bond distances ranging from 2.88–3.04 Å. In the fourth Rb1+ site, Rb1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.80 Å) Rb–O bond lengths. Sn2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.07–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn2+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn2+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Sn2+ atom.},
doi = {10.17188/1290559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}