Materials Data on ScNiP by Materials Project

doi:10.17188/1186842

Title: Materials Data on ScNiP by Materials Project

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Abstract

ScNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded to five equivalent P3- atoms to form distorted ScP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are three shorter (2.65 Å) and two longer (2.69 Å) Sc–P bond lengths. Ni1+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are two shorter (2.34 Å) and two longer (2.41 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to five equivalent Sc2+ and four equivalent Ni1+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-10240

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; ScNiP; Ni-P-Sc

OSTI Identifier:: 1186842

DOI:: https://doi.org/10.17188/1186842

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                    The Materials Project. Materials Data on ScNiP by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186842.

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                    The Materials Project. Materials Data on ScNiP by Materials Project.  United States.  doi:https://doi.org/10.17188/1186842

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                    The Materials Project. 2020.  
"Materials Data on ScNiP by Materials Project".  United States.  doi:https://doi.org/10.17188/1186842.  https://www.osti.gov/servlets/purl/1186842. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1186842,

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

  author       = {The Materials Project},

  abstractNote = {ScNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc2+ is bonded to five equivalent P3- atoms to form distorted ScP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are three shorter (2.65 Å) and two longer (2.69 Å) Sc–P bond lengths. Ni1+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent ScP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent ScP5 trigonal bipyramids. There are two shorter (2.34 Å) and two longer (2.41 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to five equivalent Sc2+ and four equivalent Ni1+ atoms.},

  doi          = {10.17188/1186842},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1186842

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