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Title: Materials Data on Cs3MnCl5 by Materials Project

Abstract

Cs3MnCl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.49–3.72 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are two shorter (3.75 Å) and eight longer (3.90 Å) Cs–Cl bond lengths. Mn2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Mn–Cl bond lengths are 2.35 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Cs1+ atoms to form corner-sharing ClCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–37°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Mn2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1261744
Report Number(s):
mp-504451
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cs3MnCl5; Cl-Cs-Mn

Citation Formats

The Materials Project. Materials Data on Cs3MnCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1261744.
The Materials Project. Materials Data on Cs3MnCl5 by Materials Project. United States. https://doi.org/10.17188/1261744
The Materials Project. 2020. "Materials Data on Cs3MnCl5 by Materials Project". United States. https://doi.org/10.17188/1261744. https://www.osti.gov/servlets/purl/1261744.
@article{osti_1261744,
title = {Materials Data on Cs3MnCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3MnCl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.49–3.72 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are two shorter (3.75 Å) and eight longer (3.90 Å) Cs–Cl bond lengths. Mn2+ is bonded in a tetrahedral geometry to four equivalent Cl1- atoms. All Mn–Cl bond lengths are 2.35 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six Cs1+ atoms to form corner-sharing ClCs6 octahedra. The corner-sharing octahedra tilt angles range from 0–37°. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to five Cs1+ and one Mn2+ atom.},
doi = {10.17188/1261744},
url = {https://www.osti.gov/biblio/1261744}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}