Materials Data on SrNi5As3 by Materials Project

doi:10.17188/1192486

Title: Materials Data on SrNi5As3 by Materials Project

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Abstract

SrNi5As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven As3- atoms. There are a spread of Sr–As bond distances ranging from 3.17–3.40 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.30–2.44 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Ni–As bond lengths are 2.44 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.39–2.42 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Sr2+ and seven Ni+1.40+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Sr2+ and six Ni+1.40+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-17396

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; SrNi5As3; As-Ni-Sr

OSTI Identifier:: 1192486

DOI:: https://doi.org/10.17188/1192486

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                    The Materials Project. Materials Data on SrNi5As3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192486.

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                    The Materials Project. Materials Data on SrNi5As3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192486

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                    The Materials Project. 2020.  
"Materials Data on SrNi5As3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192486.  https://www.osti.gov/servlets/purl/1192486. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1192486,

  title        = {Materials Data on SrNi5As3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrNi5As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven As3- atoms. There are a spread of Sr–As bond distances ranging from 3.17–3.40 Å. There are three inequivalent Ni+1.40+ sites. In the first Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.30–2.44 Å. In the second Ni+1.40+ site, Ni+1.40+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Ni–As bond lengths are 2.44 Å. In the third Ni+1.40+ site, Ni+1.40+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.39–2.42 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Sr2+ and seven Ni+1.40+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to three equivalent Sr2+ and six Ni+1.40+ atoms.},

  doi          = {10.17188/1192486},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192486

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