Materials Data on In2(Ni7P2)3 by Materials Project

doi:10.17188/1197113

Title: Materials Data on In2(Ni7P2)3 by Materials Project

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Abstract

Ni21In2P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent P atoms to form a mixture of distorted edge and corner-sharing NiInP3 tetrahedra. The Ni–In bond length is 2.58 Å. All Ni–P bond lengths are 2.26 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-21683

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; In2(Ni7P2)3; In-Ni-P

OSTI Identifier:: 1197113

DOI:: https://doi.org/10.17188/1197113

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                    The Materials Project. Materials Data on In2(Ni7P2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197113.

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                    The Materials Project. Materials Data on In2(Ni7P2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197113

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                    The Materials Project. 2020.  
"Materials Data on In2(Ni7P2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197113.  https://www.osti.gov/servlets/purl/1197113. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1197113,

  title        = {Materials Data on In2(Ni7P2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni21In2P6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to one In and three equivalent P atoms to form a mixture of distorted edge and corner-sharing NiInP3 tetrahedra. The Ni–In bond length is 2.58 Å. All Ni–P bond lengths are 2.26 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. In is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.},

  doi          = {10.17188/1197113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197113

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