Materials Data on Rb2FeCl5O by Materials Project

doi:10.17188/1748549

Title: Materials Data on Rb2FeCl5O by Materials Project

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Abstract

Rb2FeOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.34–3.91 Å. Fe is bonded in a 6-coordinate geometry to one O and five Cl atoms. The Fe–O bond length is 1.98 Å. There are a spread of Fe–Cl bond distances ranging from 2.31–2.68 Å. O is bonded in a single-bond geometry to one Fe and one Cl atom. The O–Cl bond length is 2.39 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 6-coordinate geometry to four equivalent Rb, one Fe, and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the fourth Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1199883

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; Rb2FeCl5O; Cl-Fe-O-Rb

OSTI Identifier:: 1748549

DOI:: https://doi.org/10.17188/1748549

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                    The Materials Project. Materials Data on Rb2FeCl5O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748549.

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                    The Materials Project. Materials Data on Rb2FeCl5O by Materials Project.  United States.  doi:https://doi.org/10.17188/1748549

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                    The Materials Project. 2020.  
"Materials Data on Rb2FeCl5O by Materials Project".  United States.  doi:https://doi.org/10.17188/1748549.  https://www.osti.gov/servlets/purl/1748549. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748549,

  title        = {Materials Data on Rb2FeCl5O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2FeOCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.34–3.91 Å. Fe is bonded in a 6-coordinate geometry to one O and five Cl atoms. The Fe–O bond length is 1.98 Å. There are a spread of Fe–Cl bond distances ranging from 2.31–2.68 Å. O is bonded in a single-bond geometry to one Fe and one Cl atom. The O–Cl bond length is 2.39 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 6-coordinate geometry to four equivalent Rb, one Fe, and one O atom. In the second Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the third Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom. In the fourth Cl site, Cl is bonded in a distorted single-bond geometry to four equivalent Rb and one Fe atom.},

  doi          = {10.17188/1748549},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748549

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