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Title: Materials Data on RbMnBr3 by Materials Project

Abstract

RbMnBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.68–3.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. In the second Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-568231
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; RbMnBr3; Br-Mn-Rb
OSTI Identifier:
1274321
DOI:
10.17188/1274321

Citation Formats

The Materials Project. Materials Data on RbMnBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274321.
The Materials Project. Materials Data on RbMnBr3 by Materials Project. United States. doi:10.17188/1274321.
The Materials Project. 2020. "Materials Data on RbMnBr3 by Materials Project". United States. doi:10.17188/1274321. https://www.osti.gov/servlets/purl/1274321. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274321,
title = {Materials Data on RbMnBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbMnBr3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to nine Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.68–3.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. In the second Mn2+ site, Mn2+ is bonded to six equivalent Br1- atoms to form face-sharing MnBr6 octahedra. There are three shorter (2.69 Å) and three longer (2.71 Å) Mn–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1274321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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