Materials Data on Rb2MnI4 by Materials Project

doi:10.17188/1662749

Title: Materials Data on Rb2MnI4 by Materials Project

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Abstract

Rb2MnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.77–4.36 Å. Mn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Mn–I bond distances ranging from 2.68–2.70 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mn2+ atom. In the second I1- site, I1- is bonded to four Rb1+ and one Mn2+ atom to form a mixture of distorted face, edge, and corner-sharing IRb4Mn square pyramids. In the third I1- site, I1- is bonded in a 3-coordinate geometry to four Rb1+ and one Mn2+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1209441

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; Rb2MnI4; I-Mn-Rb

OSTI Identifier:: 1662749

DOI:: https://doi.org/10.17188/1662749

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                    The Materials Project. Materials Data on Rb2MnI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662749.

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                    The Materials Project. Materials Data on Rb2MnI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662749

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                    The Materials Project. 2020.  
"Materials Data on Rb2MnI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662749.  https://www.osti.gov/servlets/purl/1662749. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1662749,

  title        = {Materials Data on Rb2MnI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2MnI4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Rb–I bond distances ranging from 3.69–3.84 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Rb–I bond distances ranging from 3.77–4.36 Å. Mn2+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Mn–I bond distances ranging from 2.68–2.70 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mn2+ atom. In the second I1- site, I1- is bonded to four Rb1+ and one Mn2+ atom to form a mixture of distorted face, edge, and corner-sharing IRb4Mn square pyramids. In the third I1- site, I1- is bonded in a 3-coordinate geometry to four Rb1+ and one Mn2+ atom.},

  doi          = {10.17188/1662749},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1662749

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