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Title: Materials Data on Rb2ZnI4 by Materials Project

Abstract

Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.30 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–4.38 Å. Zn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.64 Å) and three longer (2.65 Å) Zn–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-30018
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; Rb2ZnI4; I-Rb-Zn
OSTI Identifier:
1204451
DOI:
https://doi.org/10.17188/1204451

Citation Formats

The Materials Project. Materials Data on Rb2ZnI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204451.
The Materials Project. Materials Data on Rb2ZnI4 by Materials Project. United States. doi:https://doi.org/10.17188/1204451
The Materials Project. 2020. "Materials Data on Rb2ZnI4 by Materials Project". United States. doi:https://doi.org/10.17188/1204451. https://www.osti.gov/servlets/purl/1204451. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204451,
title = {Materials Data on Rb2ZnI4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.30 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–4.38 Å. Zn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.64 Å) and three longer (2.65 Å) Zn–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to five Rb1+ and one Zn2+ atom. In the second I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom. In the third I1- site, I1- is bonded in a 1-coordinate geometry to four Rb1+ and one Zn2+ atom.},
doi = {10.17188/1204451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}