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Title: Materials Data on RbCu2I3 by Materials Project

Abstract

RbCu2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–3.93 Å. Cu1+ is bonded to four I1- atoms to form a mixture of corner and edge-sharing CuI4 tetrahedra. There are a spread of Cu–I bond distances ranging from 2.61–2.74 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four equivalent Cu1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-569764
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; RbCu2I3; Cu-I-Rb
OSTI Identifier:
1275246
DOI:
10.17188/1275246

Citation Formats

The Materials Project. Materials Data on RbCu2I3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275246.
The Materials Project. Materials Data on RbCu2I3 by Materials Project. United States. doi:10.17188/1275246.
The Materials Project. 2020. "Materials Data on RbCu2I3 by Materials Project". United States. doi:10.17188/1275246. https://www.osti.gov/servlets/purl/1275246. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1275246,
title = {Materials Data on RbCu2I3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCu2I3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are a spread of Rb–I bond distances ranging from 3.70–3.93 Å. Cu1+ is bonded to four I1- atoms to form a mixture of corner and edge-sharing CuI4 tetrahedra. There are a spread of Cu–I bond distances ranging from 2.61–2.74 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to two equivalent Rb1+ and four equivalent Cu1+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Cu1+ atoms.},
doi = {10.17188/1275246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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