Materials Data on RbMnF4 by Materials Project

doi:10.17188/1267674

Title: Materials Data on RbMnF4 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-553981

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; RbMnF4; F-Mn-Rb

OSTI Identifier:: 1267674

DOI:: https://doi.org/10.17188/1267674

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                    The Materials Project. Materials Data on RbMnF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267674.

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                    The Materials Project. Materials Data on RbMnF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267674

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                    The Materials Project. 2020.  
"Materials Data on RbMnF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267674.  https://www.osti.gov/servlets/purl/1267674. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1267674,

  title        = {Materials Data on RbMnF4 by Materials Project},

  author       = {The Materials Project},

  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         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267674

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