Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project

doi:10.17188/1698654

Title: Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project

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Abstract

Rb2Be2Zn(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to two O and seven F atoms. There are one shorter (3.00 Å) and one longer (3.11 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.80–3.26 Å. Be is bonded in a tetrahedral geometry to four F atoms. There are a spread of Be–F bond distances ranging from 1.52–1.62 Å. Zn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the third O site, O is bonded in a single-bond geometry to one Zn atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Be atom. In the second F site, F is bonded in a distorted single-bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209805

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; Rb2Be2Zn(O3F4)2; Be-F-O-Rb-Zn

OSTI Identifier:: 1698654

DOI:: https://doi.org/10.17188/1698654

Citation Formats


                    The Materials Project. Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698654.

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                    The Materials Project. Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698654

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                    The Materials Project. 2020.  
"Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698654.  https://www.osti.gov/servlets/purl/1698654. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1698654,

  title        = {Materials Data on Rb2Be2Zn(O3F4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Be2Zn(O3F4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to two O and seven F atoms. There are one shorter (3.00 Å) and one longer (3.11 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 2.80–3.26 Å. Be is bonded in a tetrahedral geometry to four F atoms. There are a spread of Be–F bond distances ranging from 1.52–1.62 Å. Zn is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.21 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one Zn atom. In the third O site, O is bonded in a single-bond geometry to one Zn atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to two equivalent Rb and one Be atom. In the second F site, F is bonded in a distorted single-bond geometry to one Rb and one Be atom. In the third F site, F is bonded in a distorted single-bond geometry to three equivalent Rb and one Be atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Rb and one Be atom.},

  doi          = {10.17188/1698654},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1698654

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