Materials Data on Sb2(KrF4)5 by Materials Project

doi:10.17188/1270707

Title: Materials Data on Sb2(KrF4)5 by Materials Project

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Abstract

(Kr2F3)2KrF2(SbF6)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight Kr2F3 clusters, four KrF2 clusters, and eight SbF6 clusters. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.10 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Kr atoms. 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 Kr atom. In each KrF2 cluster, Kr is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Kr–F bond length. F is bonded in a single-bond geometry to one Kr atom. In each SbF6 cluster, Sb is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-559168

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; Sb2(KrF4)5; F-Kr-Sb

OSTI Identifier:: 1270707

DOI:: https://doi.org/10.17188/1270707

Citation Formats


                    The Materials Project. Materials Data on Sb2(KrF4)5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270707.

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                    The Materials Project. Materials Data on Sb2(KrF4)5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270707

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                    The Materials Project. 2020.  
"Materials Data on Sb2(KrF4)5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270707.  https://www.osti.gov/servlets/purl/1270707. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1270707,

  title        = {Materials Data on Sb2(KrF4)5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Kr2F3)2KrF2(SbF6)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight Kr2F3 clusters, four KrF2 clusters, and eight SbF6 clusters. In each Kr2F3 cluster, there are two inequivalent Kr sites. In the first Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.86 Å) and one longer (2.09 Å) Kr–F bond length. In the second Kr site, Kr is bonded in a linear geometry to two F atoms. There is one shorter (1.85 Å) and one longer (2.10 Å) Kr–F bond length. There are three inequivalent F sites. In the first F site, F is bonded in a bent 120 degrees geometry to two Kr atoms. 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 Kr atom. In each KrF2 cluster, Kr is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Kr–F bond length. F is bonded in a single-bond geometry to one Kr atom. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six F atoms. There is two shorter (1.92 Å) and four longer (1.93 Å) Sb–F bond length. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Sb atom. In the second F site, F is bonded in a single-bond geometry to one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom.},

  doi          = {10.17188/1270707},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270707

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