Materials Data on MgCoF4 by Materials Project

doi:10.17188/1319086

Title: Materials Data on MgCoF4 by Materials Project

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Abstract

MgCoF4 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.19 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.09–2.29 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.12–2.27 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.11–2.29 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharingmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mvc-14233

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; MgCoF4; Co-F-Mg

OSTI Identifier:: 1319086

DOI:: https://doi.org/10.17188/1319086

Citation Formats


                    The Materials Project. Materials Data on MgCoF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1319086.

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                    The Materials Project. Materials Data on MgCoF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1319086

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                    The Materials Project. 2020.  
"Materials Data on MgCoF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1319086.  https://www.osti.gov/servlets/purl/1319086. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1319086,

  title        = {Materials Data on MgCoF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCoF4 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.13–2.19 Å. In the second Mg2+ site, Mg2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Mg–F bond distances ranging from 2.09–2.29 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.12–2.27 Å. In the second Co2+ site, Co2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Co–F bond distances ranging from 2.11–2.29 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the second F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the third F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fourth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the fifth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of distorted corner and edge-sharing FMg2Co2 tetrahedra. In the sixth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the seventh F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra. In the eighth F1- site, F1- is bonded to two Mg2+ and two Co2+ atoms to form a mixture of corner and edge-sharing FMg2Co2 tetrahedra.},

  doi          = {10.17188/1319086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1319086

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