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Title: Materials Data on RbMnF4 by Materials Project

Abstract

RbMnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.23 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.20 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.23 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two Mn3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degreesmore » geometry to one Rb1+ and two Mn3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553981
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; RbMnF4; F-Mn-Rb
OSTI Identifier:
1267674
DOI:
10.17188/1267674

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbMnF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267674.
Persson, Kristin, & Project, Materials. Materials Data on RbMnF4 by Materials Project. United States. doi:10.17188/1267674.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbMnF4 by Materials Project". United States. doi:10.17188/1267674. https://www.osti.gov/servlets/purl/1267674. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1267674,
title = {Materials Data on RbMnF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbMnF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.23 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.20 Å. In the second Mn3+ site, Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 28–33°. There are a spread of Mn–F bond distances ranging from 1.86–2.23 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two Mn3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Mn3+ atoms.},
doi = {10.17188/1267674},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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