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Title: Materials Data on Rb2ZnI3 by Materials Project

Abstract

Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to one Zn and six I atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. The Rb–Zn bond length is 3.84 Å. There are a spread of Rb–I bond distances ranging from 3.68–3.97 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Rb–I bond distances ranging from 3.64–3.75 Å. Zn is bonded in a 3-coordinate geometry to one Rb and three I atoms. There are two shorter (2.79 Å) and one longer (2.81 Å) Zn–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to three Rb and one Zn atom. In the second I site, I is bonded in a 5-coordinate geometry to four Rb and one Zn atom.

Publication Date:
Other Number(s):
mp-38177
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; Rb2ZnI3; I-Rb-Zn
OSTI Identifier:
1207481
DOI:
10.17188/1207481

Citation Formats

The Materials Project. Materials Data on Rb2ZnI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207481.
The Materials Project. Materials Data on Rb2ZnI3 by Materials Project. United States. doi:10.17188/1207481.
The Materials Project. 2020. "Materials Data on Rb2ZnI3 by Materials Project". United States. doi:10.17188/1207481. https://www.osti.gov/servlets/purl/1207481. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1207481,
title = {Materials Data on Rb2ZnI3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnI3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to one Zn and six I atoms to form a mixture of distorted edge and corner-sharing RbZnI6 pentagonal bipyramids. The Rb–Zn bond length is 3.84 Å. There are a spread of Rb–I bond distances ranging from 3.68–3.97 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Rb–I bond distances ranging from 3.64–3.75 Å. Zn is bonded in a 3-coordinate geometry to one Rb and three I atoms. There are two shorter (2.79 Å) and one longer (2.81 Å) Zn–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a distorted rectangular see-saw-like geometry to three Rb and one Zn atom. In the second I site, I is bonded in a 5-coordinate geometry to four Rb and one Zn atom.},
doi = {10.17188/1207481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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