Materials Data on Cs4Co3F10 by Materials Project

doi:10.17188/1711660

Title: Materials Data on Cs4Co3F10 by Materials Project

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Abstract

Cs4Co3F10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 2.95–3.22 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.61 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six F1- atoms to form face-sharing CoF6 octahedra. There are four shorter (2.07 Å) and two longer (2.08 Å) Co–F bond lengths. In the second Co2+ site, Co2+ is bonded to six F1- atoms to form a mixture of corner and face-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Co–F bond distances ranging from 1.97–2.15 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to five Cs1+ and one Co2+ atom. In the second F1- site, F1- is bonded in a 6-coordinate geometry to four Cs1+ and two Co2+ atoms. In the third F1-more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1196471

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; Cs4Co3F10; Co-Cs-F

OSTI Identifier:: 1711660

DOI:: https://doi.org/10.17188/1711660

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                    The Materials Project. Materials Data on Cs4Co3F10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711660.

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                    The Materials Project. Materials Data on Cs4Co3F10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711660

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                    The Materials Project. 2020.  
"Materials Data on Cs4Co3F10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711660.  https://www.osti.gov/servlets/purl/1711660. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711660,

  title        = {Materials Data on Cs4Co3F10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs4Co3F10 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 2.95–3.22 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Cs–F bond distances ranging from 3.08–3.61 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six F1- atoms to form face-sharing CoF6 octahedra. There are four shorter (2.07 Å) and two longer (2.08 Å) Co–F bond lengths. In the second Co2+ site, Co2+ is bonded to six F1- atoms to form a mixture of corner and face-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Co–F bond distances ranging from 1.97–2.15 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to five Cs1+ and one Co2+ atom. In the second F1- site, F1- is bonded in a 6-coordinate geometry to four Cs1+ and two Co2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to four Cs1+ and two Co2+ atoms. In the fourth F1- site, F1- is bonded in a linear geometry to four Cs1+ and two equivalent Co2+ atoms.},

  doi          = {10.17188/1711660},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711660

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