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Title: Materials Data on Rb3Mn2Cl7 by Materials Project

Abstract

Rb3Mn2Cl7 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two RbCl sheets oriented in the (0, 0, 1) direction and four RbMnCl3 sheets oriented in the (0, 0, 1) direction. In each RbCl sheet, Rb1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.43 Å. Cl1- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In each RbMnCl3 sheet, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (3.39 Å) and four longer (3.47 Å) Rb–Cl bond lengths. Mn2+ is bonded to five Cl1- atoms to form corner-sharing MnCl5 square pyramids. There are one shorter (2.42 Å) and four longer (2.47 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Mn2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Mn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-568008
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; Rb3Mn2Cl7; Cl-Mn-Rb
OSTI Identifier:
1274176
DOI:
https://doi.org/10.17188/1274176

Citation Formats

The Materials Project. Materials Data on Rb3Mn2Cl7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274176.
The Materials Project. Materials Data on Rb3Mn2Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1274176
The Materials Project. 2020. "Materials Data on Rb3Mn2Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1274176. https://www.osti.gov/servlets/purl/1274176. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274176,
title = {Materials Data on Rb3Mn2Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3Mn2Cl7 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two RbCl sheets oriented in the (0, 0, 1) direction and four RbMnCl3 sheets oriented in the (0, 0, 1) direction. In each RbCl sheet, Rb1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.43 Å. Cl1- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In each RbMnCl3 sheet, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are four shorter (3.39 Å) and four longer (3.47 Å) Rb–Cl bond lengths. Mn2+ is bonded to five Cl1- atoms to form corner-sharing MnCl5 square pyramids. There are one shorter (2.42 Å) and four longer (2.47 Å) Mn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Mn2+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1274176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}