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Title: Materials Data on Rb3IO5 by Materials Project

Abstract

Rb3O5I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to five O atoms to form RbO5 square pyramids that share corners with five equivalent IO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.70–2.87 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.48 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.50 Å. There are three inequivalent O sites. In the first O site, O is bonded to five Rb and one I atom to form distorted edge-sharing ORb5I octahedra. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. I ismore » bonded to five O atoms to form IO5 trigonal bipyramids that share corners with five equivalent RbO5 square pyramids.« less

Publication Date:
Other Number(s):
mp-1203699
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; Rb3IO5; I-O-Rb
OSTI Identifier:
1662306
DOI:
https://doi.org/10.17188/1662306

Citation Formats

The Materials Project. Materials Data on Rb3IO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662306.
The Materials Project. Materials Data on Rb3IO5 by Materials Project. United States. doi:https://doi.org/10.17188/1662306
The Materials Project. 2020. "Materials Data on Rb3IO5 by Materials Project". United States. doi:https://doi.org/10.17188/1662306. https://www.osti.gov/servlets/purl/1662306. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1662306,
title = {Materials Data on Rb3IO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3O5I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded to five O atoms to form RbO5 square pyramids that share corners with five equivalent IO5 trigonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.70–2.87 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.93–3.48 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.50 Å. There are three inequivalent O sites. In the first O site, O is bonded to five Rb and one I atom to form distorted edge-sharing ORb5I octahedra. The O–I bond length is 1.84 Å. In the second O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a 1-coordinate geometry to five Rb and one I atom. The O–I bond length is 1.88 Å. I is bonded to five O atoms to form IO5 trigonal bipyramids that share corners with five equivalent RbO5 square pyramids.},
doi = {10.17188/1662306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}