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Title: Materials Data on RbSrI3 by Materials Project

Abstract

RbSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.19 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (3.30 Å) and four longer (3.33 Å) Sr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IRb2Sr2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1205862
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; RbSrI3; I-Rb-Sr
OSTI Identifier:
1716997
DOI:
https://doi.org/10.17188/1716997

Citation Formats

The Materials Project. Materials Data on RbSrI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716997.
The Materials Project. Materials Data on RbSrI3 by Materials Project. United States. doi:https://doi.org/10.17188/1716997
The Materials Project. 2020. "Materials Data on RbSrI3 by Materials Project". United States. doi:https://doi.org/10.17188/1716997. https://www.osti.gov/servlets/purl/1716997. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1716997,
title = {Materials Data on RbSrI3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSrI3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.19 Å. Sr2+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing SrI6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two shorter (3.30 Å) and four longer (3.33 Å) Sr–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing IRb2Sr2 tetrahedra.},
doi = {10.17188/1716997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}