Materials Data on Zr6NiSn2 by Materials Project

doi:10.17188/1757635

Title: Materials Data on Zr6NiSn2 by Materials Project

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Abstract

Zr6NiSn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Sn atoms. Both Zr–Ni bond lengths are 2.65 Å. Both Zr–Sn bond lengths are 3.08 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Sn atoms. The Zr–Ni bond length is 3.18 Å. All Zr–Sn bond lengths are 3.03 Å. Ni is bonded in a 6-coordinate geometry to nine Zr atoms. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1206510

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; Zr6NiSn2; Ni-Sn-Zr

OSTI Identifier:: 1757635

DOI:: https://doi.org/10.17188/1757635

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                    The Materials Project. Materials Data on Zr6NiSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757635.

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                    The Materials Project. Materials Data on Zr6NiSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757635

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                    The Materials Project. 2020.  
"Materials Data on Zr6NiSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757635.  https://www.osti.gov/servlets/purl/1757635. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757635,

  title        = {Materials Data on Zr6NiSn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr6NiSn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Sn atoms. Both Zr–Ni bond lengths are 2.65 Å. Both Zr–Sn bond lengths are 3.08 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Ni and four equivalent Sn atoms. The Zr–Ni bond length is 3.18 Å. All Zr–Sn bond lengths are 3.03 Å. Ni is bonded in a 6-coordinate geometry to nine Zr atoms. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1757635},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757635

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