Materials Data on Cs2NiAs2 by Materials Project

doi:10.17188/1707085

Title: Materials Data on Cs2NiAs2 by Materials Project

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Abstract

Cs2NiAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are four shorter (3.75 Å) and two longer (3.85 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.59 Å) and four longer (3.95 Å) Cs–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.37 Å. As2- is bonded in a 2-coordinate geometry to six Cs1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.43 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1206689

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; Cs2NiAs2; As-Cs-Ni

OSTI Identifier:: 1707085

DOI:: https://doi.org/10.17188/1707085

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                    The Materials Project. Materials Data on Cs2NiAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707085.

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                    The Materials Project. Materials Data on Cs2NiAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707085

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                    The Materials Project. 2020.  
"Materials Data on Cs2NiAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707085.  https://www.osti.gov/servlets/purl/1707085. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1707085,

  title        = {Materials Data on Cs2NiAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2NiAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are four shorter (3.75 Å) and two longer (3.85 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.59 Å) and four longer (3.95 Å) Cs–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.37 Å. As2- is bonded in a 2-coordinate geometry to six Cs1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.43 Å.},

  doi          = {10.17188/1707085},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707085

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