Materials Data on InNi3 by Materials Project

doi:10.17188/1198351

Title: Materials Data on InNi3 by Materials Project

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Abstract

Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight equivalent Ni and four equivalent In atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent InNi12 cuboctahedra, corners with fourteen NiIn4Ni8 cuboctahedra, edges with six equivalent InNi12 cuboctahedra, edges with twelve equivalent NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with sixteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.84 Å. There are two shorter (2.67 Å) and two longer (2.68 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent InNi12 cuboctahedra, corners with fourteen NiIn4Ni8 cuboctahedra, edges with six equivalent InNi12 cuboctahedra, edges with twelve NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with sixteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.84 Å. There are two shorter (2.67 Å) and two longer (2.68 Å) Ni–In bond lengths. In is bonded to twelve Ni atoms to formmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-22469

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; InNi3; In-Ni

OSTI Identifier:: 1198351

DOI:: https://doi.org/10.17188/1198351

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                    The Materials Project. Materials Data on InNi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198351.

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                    The Materials Project. Materials Data on InNi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198351

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                    The Materials Project. 2020.  
"Materials Data on InNi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198351.  https://www.osti.gov/servlets/purl/1198351. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1198351,

  title        = {Materials Data on InNi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni3In is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight equivalent Ni and four equivalent In atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent InNi12 cuboctahedra, corners with fourteen NiIn4Ni8 cuboctahedra, edges with six equivalent InNi12 cuboctahedra, edges with twelve equivalent NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with sixteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.84 Å. There are two shorter (2.67 Å) and two longer (2.68 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form distorted NiIn4Ni8 cuboctahedra that share corners with four equivalent InNi12 cuboctahedra, corners with fourteen NiIn4Ni8 cuboctahedra, edges with six equivalent InNi12 cuboctahedra, edges with twelve NiIn4Ni8 cuboctahedra, faces with four equivalent InNi12 cuboctahedra, and faces with sixteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.51–2.84 Å. There are two shorter (2.67 Å) and two longer (2.68 Å) Ni–In bond lengths. In is bonded to twelve Ni atoms to form InNi12 cuboctahedra that share corners with six equivalent InNi12 cuboctahedra, corners with twelve NiIn4Ni8 cuboctahedra, edges with eighteen NiIn4Ni8 cuboctahedra, faces with eight equivalent InNi12 cuboctahedra, and faces with twelve NiIn4Ni8 cuboctahedra.},

  doi          = {10.17188/1198351},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198351

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