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Title: Materials Data on Rb3InO3 by Materials Project

Abstract

Rb3InO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with four equivalent InO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, an edgeedge with one InO4 tetrahedra, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Rb–O bond distances ranging from 2.80–3.17 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.23 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.43 Å. In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with four equivalent RbO5 trigonal bipyramids, an edgeedge with one InO4 tetrahedra, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of In–O bond distances ranging from 2.08–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+more » and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent In3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one In3+ atom.« less

Publication Date:
Other Number(s):
mp-761025
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; Rb3InO3; In-O-Rb
OSTI Identifier:
1291737
DOI:
10.17188/1291737

Citation Formats

The Materials Project. Materials Data on Rb3InO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291737.
The Materials Project. Materials Data on Rb3InO3 by Materials Project. United States. doi:10.17188/1291737.
The Materials Project. 2020. "Materials Data on Rb3InO3 by Materials Project". United States. doi:10.17188/1291737. https://www.osti.gov/servlets/purl/1291737. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291737,
title = {Materials Data on Rb3InO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3InO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to five O2- atoms to form distorted RbO5 trigonal bipyramids that share corners with four equivalent InO4 tetrahedra, corners with two equivalent RbO5 trigonal bipyramids, an edgeedge with one InO4 tetrahedra, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of Rb–O bond distances ranging from 2.80–3.17 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.82–3.23 Å. In the third Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.43 Å. In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with four equivalent RbO5 trigonal bipyramids, an edgeedge with one InO4 tetrahedra, and an edgeedge with one RbO5 trigonal bipyramid. There are a spread of In–O bond distances ranging from 2.08–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent In3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one In3+ atom.},
doi = {10.17188/1291737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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