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Title: Materials Data on Rb2ZnCl3 by Materials Project

Abstract

Rb2ZnCl3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to one Zn and five Cl atoms. The Rb–Zn bond length is 3.67 Å. There are a spread of Rb–Cl bond distances ranging from 3.24–3.64 Å. In the second Rb site, Rb is bonded in a 3-coordinate geometry to three Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.16–3.40 Å. In the third Rb site, Rb is bonded in a 4-coordinate geometry to one Zn and four Cl atoms. The Rb–Zn bond length is 3.62 Å. There are a spread of Rb–Cl bond distances ranging from 3.15–3.56 Å. In the fourth Rb site, Rb is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.11–3.55 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to two Rb atoms. In the second Zn site, Zn is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.29 Å) and three longer (2.31 Å) Zn–Clmore » bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Rb and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to one Rb and one Zn atom. In the third Cl site, Cl is bonded to four Rb atoms to form distorted corner-sharing ClRb4 tetrahedra. In the fourth Cl site, Cl is bonded in a 1-coordinate geometry to two Rb and one Zn atom. In the fifth Cl site, Cl is bonded in a 4-coordinate geometry to four Rb atoms. In the sixth Cl site, Cl is bonded in a distorted single-bond geometry to three Rb and one Zn atom.« less

Authors:
Publication Date:
Other Number(s):
mp-676317
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; Rb2ZnCl3; Cl-Rb-Zn
OSTI Identifier:
1283011
DOI:
https://doi.org/10.17188/1283011

Citation Formats

The Materials Project. Materials Data on Rb2ZnCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283011.
The Materials Project. Materials Data on Rb2ZnCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1283011
The Materials Project. 2020. "Materials Data on Rb2ZnCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1283011. https://www.osti.gov/servlets/purl/1283011. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1283011,
title = {Materials Data on Rb2ZnCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZnCl3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to one Zn and five Cl atoms. The Rb–Zn bond length is 3.67 Å. There are a spread of Rb–Cl bond distances ranging from 3.24–3.64 Å. In the second Rb site, Rb is bonded in a 3-coordinate geometry to three Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.16–3.40 Å. In the third Rb site, Rb is bonded in a 4-coordinate geometry to one Zn and four Cl atoms. The Rb–Zn bond length is 3.62 Å. There are a spread of Rb–Cl bond distances ranging from 3.15–3.56 Å. In the fourth Rb site, Rb is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.11–3.55 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to two Rb atoms. In the second Zn site, Zn is bonded in a tetrahedral geometry to four Cl atoms. There are one shorter (2.29 Å) and three longer (2.31 Å) Zn–Cl bond lengths. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted single-bond geometry to three Rb and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to one Rb and one Zn atom. In the third Cl site, Cl is bonded to four Rb atoms to form distorted corner-sharing ClRb4 tetrahedra. In the fourth Cl site, Cl is bonded in a 1-coordinate geometry to two Rb and one Zn atom. In the fifth Cl site, Cl is bonded in a 4-coordinate geometry to four Rb atoms. In the sixth Cl site, Cl is bonded in a distorted single-bond geometry to three Rb and one Zn atom.},
doi = {10.17188/1283011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}