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Title: Materials Data on Rb2MnOF5 by Materials Project

Abstract

Rb2MnOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded to two equivalent O and ten F atoms to form distorted RbO2F10 cuboctahedra that share corners with twelve equivalent RbO2F10 cuboctahedra, faces with six equivalent RbO2F10 cuboctahedra, and faces with four equivalent MnF6 octahedra. There are one shorter (3.15 Å) and one longer (3.22 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.99–3.31 Å. Mn is bonded to six F atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and faces with eight equivalent RbO2F10 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There is four shorter (1.87 Å) and two longer (2.07 Å) Mn–F bond length. O is bonded in a rectangular see-saw-like geometry to four equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Mn atoms. In the second F site, F is bonded in a single-bond geometry to four equivalent Rb and one Mn atom. In the third F site, F is bonded in a distorted single-bond geometry to four equivalent Rbmore » and one Mn atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1189161
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; Rb2MnOF5; F-Mn-O-Rb
OSTI Identifier:
1654132
DOI:
https://doi.org/10.17188/1654132

Citation Formats

The Materials Project. Materials Data on Rb2MnOF5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654132.
The Materials Project. Materials Data on Rb2MnOF5 by Materials Project. United States. doi:https://doi.org/10.17188/1654132
The Materials Project. 2019. "Materials Data on Rb2MnOF5 by Materials Project". United States. doi:https://doi.org/10.17188/1654132. https://www.osti.gov/servlets/purl/1654132. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1654132,
title = {Materials Data on Rb2MnOF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2MnOF5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded to two equivalent O and ten F atoms to form distorted RbO2F10 cuboctahedra that share corners with twelve equivalent RbO2F10 cuboctahedra, faces with six equivalent RbO2F10 cuboctahedra, and faces with four equivalent MnF6 octahedra. There are one shorter (3.15 Å) and one longer (3.22 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.99–3.31 Å. Mn is bonded to six F atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra and faces with eight equivalent RbO2F10 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. There is four shorter (1.87 Å) and two longer (2.07 Å) Mn–F bond length. O is bonded in a rectangular see-saw-like geometry to four equivalent Rb atoms. There are three inequivalent F sites. In the first F site, F is bonded in a distorted linear geometry to four equivalent Rb and two equivalent Mn atoms. In the second F site, F is bonded in a single-bond geometry to four equivalent Rb and one Mn atom. In the third F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one Mn atom.},
doi = {10.17188/1654132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}