Materials Data on ZrNi2Sb by Materials Project

doi:10.17188/1206872

Title: Materials Data on ZrNi2Sb by Materials Project

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Abstract

ZrNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Sb atoms. There are six shorter (2.76 Å) and two longer (2.87 Å) Zr–Ni bond lengths. All Zr–Sb bond lengths are 3.21 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Zr, one Ni, and three equivalent Sb atoms. The Ni–Ni bond length is 2.56 Å. All Ni–Sb bond lengths are 2.57 Å. Sb is bonded to six equivalent Zr and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing SbZr6Ni6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-3469

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; ZrNi2Sb; Ni-Sb-Zr

OSTI Identifier:: 1206872

DOI:: https://doi.org/10.17188/1206872

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                    The Materials Project. Materials Data on ZrNi2Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206872.

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                    The Materials Project. Materials Data on ZrNi2Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1206872

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                    The Materials Project. 2020.  
"Materials Data on ZrNi2Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1206872.  https://www.osti.gov/servlets/purl/1206872. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206872,

  title        = {Materials Data on ZrNi2Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZrNi2Sb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to eight equivalent Ni and six equivalent Sb atoms. There are six shorter (2.76 Å) and two longer (2.87 Å) Zr–Ni bond lengths. All Zr–Sb bond lengths are 3.21 Å. Ni is bonded in a 8-coordinate geometry to four equivalent Zr, one Ni, and three equivalent Sb atoms. The Ni–Ni bond length is 2.56 Å. All Ni–Sb bond lengths are 2.57 Å. Sb is bonded to six equivalent Zr and six equivalent Ni atoms to form a mixture of distorted corner and face-sharing SbZr6Ni6 cuboctahedra.},

  doi          = {10.17188/1206872},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206872

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