Materials Data on Nd(NiAs)2 by Materials Project

doi:10.17188/1274012

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

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Abstract

Nd(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Nd–As bond lengths are 3.19 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.66 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-567723

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-Nd-Ni; Nd(NiAs)2; crystal structure

OSTI Identifier:: 1274012

DOI:: https://doi.org/10.17188/1274012

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                    Materials Data on Nd(NiAs)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274012.

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                    Materials Data on Nd(NiAs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274012

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                    2020.  
"Materials Data on Nd(NiAs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274012.  https://www.osti.gov/servlets/purl/1274012. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274012,

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

  
  abstractNote = {Nd(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Nd–As bond lengths are 3.19 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.66 Å.},

  doi          = {10.17188/1274012},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274012

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Materials Data on Nd(NiAs)2 by Materials Project

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