Materials Data on CoAs2 by Materials Project

doi:10.17188/1201370

Title: Materials Data on CoAs2 by Materials Project

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Abstract

CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six As2- atoms to form a mixture of edge and corner-sharing CoAs6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Co–As bond distances ranging from 2.32–2.42 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom. The As–As bond length is 2.51 Å. In the second As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-2715

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; CoAs2; As-Co

OSTI Identifier:: 1201370

DOI:: https://doi.org/10.17188/1201370

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                    The Materials Project. Materials Data on CoAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201370.

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                    The Materials Project. Materials Data on CoAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201370

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                    The Materials Project. 2020.  
"Materials Data on CoAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201370.  https://www.osti.gov/servlets/purl/1201370. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1201370,

  title        = {Materials Data on CoAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six As2- atoms to form a mixture of edge and corner-sharing CoAs6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Co–As bond distances ranging from 2.32–2.42 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom. The As–As bond length is 2.51 Å. In the second As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom.},

  doi          = {10.17188/1201370},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1201370

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