Materials Data on CsAsSe2 by Materials Project

doi:10.17188/1202664

Title: Materials Data on CsAsSe2 by Materials Project

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Abstract

CsAsSe2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.14 Å. As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) As–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent As3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one As3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-28563

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; CsAsSe2; As-Cs-Se

OSTI Identifier:: 1202664

DOI:: https://doi.org/10.17188/1202664

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                    The Materials Project. Materials Data on CsAsSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202664.

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                    The Materials Project. Materials Data on CsAsSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202664

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                    The Materials Project. 2020.  
"Materials Data on CsAsSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202664.  https://www.osti.gov/servlets/purl/1202664. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1202664,

  title        = {Materials Data on CsAsSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsAsSe2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.14 Å. As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) As–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent As3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one As3+ atom.},

  doi          = {10.17188/1202664},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1202664

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