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Title: Materials Data on RbYbI3 by Materials Project

Abstract

RbYbI3 crystallizes in the orthorhombic Pnma 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 3.81–4.19 Å. Yb2+ is bonded to six I1- atoms to form edge-sharing YbI6 octahedra. There are a spread of Yb–I bond distances ranging from 3.06–3.19 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three equivalent Yb2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Yb2+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Yb2+ atoms.

Publication Date:
Other Number(s):
mp-568796
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; RbYbI3; I-Rb-Yb
OSTI Identifier:
1274698
DOI:
10.17188/1274698

Citation Formats

The Materials Project. Materials Data on RbYbI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274698.
The Materials Project. Materials Data on RbYbI3 by Materials Project. United States. doi:10.17188/1274698.
The Materials Project. 2020. "Materials Data on RbYbI3 by Materials Project". United States. doi:10.17188/1274698. https://www.osti.gov/servlets/purl/1274698. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274698,
title = {Materials Data on RbYbI3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbYbI3 crystallizes in the orthorhombic Pnma 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 3.81–4.19 Å. Yb2+ is bonded to six I1- atoms to form edge-sharing YbI6 octahedra. There are a spread of Yb–I bond distances ranging from 3.06–3.19 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and three equivalent Yb2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Yb2+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two equivalent Yb2+ atoms.},
doi = {10.17188/1274698},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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