Materials Data on Cs3SbF6 by Materials Project

doi:10.17188/1683942

Title: Materials Data on Cs3SbF6 by Materials Project

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Abstract

Cs3SbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.20 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.22 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.23 Å) Sb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1206735

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; Cs3SbF6; Cs-F-Sb

OSTI Identifier:: 1683942

DOI:: https://doi.org/10.17188/1683942

Citation Formats


                    The Materials Project. Materials Data on Cs3SbF6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1683942.

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                    The Materials Project. Materials Data on Cs3SbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683942

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                    The Materials Project. 2019.  
"Materials Data on Cs3SbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683942.  https://www.osti.gov/servlets/purl/1683942. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1683942,

  title        = {Materials Data on Cs3SbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3SbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.00–3.20 Å. In the second Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.01–3.30 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 3.02–3.22 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are four shorter (2.22 Å) and two longer (2.23 Å) Sb–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three Cs1+ and one Sb3+ atom.},

  doi          = {10.17188/1683942},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1683942

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