Materials Data on BiKrF7 by Materials Project

doi:10.17188/1204448

Title: Materials Data on BiKrF7 by Materials Project

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Abstract

KrBiF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four KrBiF7 clusters. Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.07 Å) Kr–F bond length. Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.24 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Bi atom. In the second F site, F is bonded in a single-bond geometry to one Kr atom. In the third F site, F is bonded in a single-bond geometry to one Bi atom. In the fourth F site, F is bonded in a single-bond geometry to one Bi atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Kr and one Bi atom. In the sixth F site, F is bonded in a single-bond geometry to one Bi atom. In the seventh F site, F is bonded in a single-bond geometry to one Bi atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-30012

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; BiKrF7; Bi-F-Kr

OSTI Identifier:: 1204448

DOI:: https://doi.org/10.17188/1204448

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                    The Materials Project. Materials Data on BiKrF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204448.

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                    The Materials Project. Materials Data on BiKrF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204448

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                    The Materials Project. 2020.  
"Materials Data on BiKrF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204448.  https://www.osti.gov/servlets/purl/1204448. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1204448,

  title        = {Materials Data on BiKrF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KrBiF7 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four KrBiF7 clusters. Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.07 Å) Kr–F bond length. Bi is bonded in an octahedral geometry to six F atoms. There are a spread of Bi–F bond distances ranging from 2.02–2.24 Å. There are seven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Bi atom. In the second F site, F is bonded in a single-bond geometry to one Kr atom. In the third F site, F is bonded in a single-bond geometry to one Bi atom. In the fourth F site, F is bonded in a single-bond geometry to one Bi atom. In the fifth F site, F is bonded in a bent 150 degrees geometry to one Kr and one Bi atom. In the sixth F site, F is bonded in a single-bond geometry to one Bi atom. In the seventh F site, F is bonded in a single-bond geometry to one Bi atom.},

  doi          = {10.17188/1204448},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1204448

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