Materials Data on Ca(NiAs)2 by Materials Project

doi:10.17188/1208373

Title: Materials Data on Ca(NiAs)2 by Materials Project

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Abstract

Ca(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.36 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.62 Å.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-4744

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; As-Ca-Ni; Ca(NiAs)2; crystal structure

OSTI Identifier:: 1208373

DOI:: https://doi.org/10.17188/1208373

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                    Materials Data on Ca(NiAs)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208373.

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                    Materials Data on Ca(NiAs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208373

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                    2020.  
"Materials Data on Ca(NiAs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208373.  https://www.osti.gov/servlets/purl/1208373. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1208373,

  title        = {Materials Data on Ca(NiAs)2 by Materials Project},

  
  abstractNote = {Ca(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.36 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.62 Å.},

  doi          = {10.17188/1208373},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1208373

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