Materials Data on CsZn4As3 by Materials Project

doi:10.17188/1721910

Title: Materials Data on CsZn4As3 by Materials Project

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Abstract

CsZn4As3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.82 Å. Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.68 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1084778

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; CsZn4As3; As-Cs-Zn

OSTI Identifier:: 1721910

DOI:: https://doi.org/10.17188/1721910

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                    The Materials Project. Materials Data on CsZn4As3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721910.

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                    The Materials Project. Materials Data on CsZn4As3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721910

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                    The Materials Project. 2020.  
"Materials Data on CsZn4As3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721910.  https://www.osti.gov/servlets/purl/1721910. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1721910,

  title        = {Materials Data on CsZn4As3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsZn4As3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.82 Å. Zn2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.68 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.},

  doi          = {10.17188/1721910},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721910

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