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Title: Materials Data on CsMnBr3 by Materials Project

Abstract

CsMnBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent MnBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent MnBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.93 Å) and six longer (4.08 Å) Cs–Br bond lengths. Mn2+ is bonded to six equivalent Br1- atoms to form MnBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-23048
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; CsMnBr3; Br-Cs-Mn
OSTI Identifier:
1199192
DOI:
10.17188/1199192

Citation Formats

The Materials Project. Materials Data on CsMnBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199192.
The Materials Project. Materials Data on CsMnBr3 by Materials Project. United States. doi:10.17188/1199192.
The Materials Project. 2020. "Materials Data on CsMnBr3 by Materials Project". United States. doi:10.17188/1199192. https://www.osti.gov/servlets/purl/1199192. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199192,
title = {Materials Data on CsMnBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsMnBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent MnBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent MnBr6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are six shorter (3.93 Å) and six longer (4.08 Å) Cs–Br bond lengths. Mn2+ is bonded to six equivalent Br1- atoms to form MnBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1199192},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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