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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 in a bent 150 degrees geometry to two equivalent O atoms. Both Rb–O bond lengths are 2.70 Å. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.58 Å) and two longer (3.16 Å) Rb–O bond lengths. In the third Rb site, Rb is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Rb–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three Rb and one I atom. The O–I bond length is 1.92 Å. In the second O site, O is bonded in a distorted water-like geometry to one Rb and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Rb and one I atom. The O–I bond length is 1.85 Å. I is bonded in a trigonal bipyramidalmore » geometry to five O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1180124
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; Rb3IO5; I-O-Rb
OSTI Identifier:
1672963
DOI:
https://doi.org/10.17188/1672963

Citation Formats

The Materials Project. Materials Data on Rb3IO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672963.
The Materials Project. Materials Data on Rb3IO5 by Materials Project. United States. doi:https://doi.org/10.17188/1672963
The Materials Project. 2019. "Materials Data on Rb3IO5 by Materials Project". United States. doi:https://doi.org/10.17188/1672963. https://www.osti.gov/servlets/purl/1672963. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1672963,
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 in a bent 150 degrees geometry to two equivalent O atoms. Both Rb–O bond lengths are 2.70 Å. In the second Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.58 Å) and two longer (3.16 Å) Rb–O bond lengths. In the third Rb site, Rb is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Rb–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three Rb and one I atom. The O–I bond length is 1.92 Å. In the second O site, O is bonded in a distorted water-like geometry to one Rb and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Rb and one I atom. The O–I bond length is 1.85 Å. I is bonded in a trigonal bipyramidal geometry to five O atoms.},
doi = {10.17188/1672963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}