Materials Data on Zr5AlSn3 by Materials Project

doi:10.17188/1262885

Title: Materials Data on Zr5AlSn3 by Materials Project

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Abstract

Zr5AlSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 3.09 Å. In the second Zr site, Zr is bonded to two equivalent Al and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing ZrAl2Sn5 pentagonal bipyramids. Both Zr–Al bond lengths are 2.78 Å. There are a spread of Zr–Sn bond distances ranging from 3.00–3.13 Å. Al is bonded to six equivalent Zr atoms to form distorted face-sharing AlZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-510321

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; Zr5AlSn3; Al-Sn-Zr

OSTI Identifier:: 1262885

DOI:: https://doi.org/10.17188/1262885

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                    The Materials Project. Materials Data on Zr5AlSn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262885.

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                    The Materials Project. Materials Data on Zr5AlSn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262885

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                    The Materials Project. 2020.  
"Materials Data on Zr5AlSn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262885.  https://www.osti.gov/servlets/purl/1262885. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1262885,

  title        = {Materials Data on Zr5AlSn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5AlSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Zr–Sn bond lengths are 3.09 Å. In the second Zr site, Zr is bonded to two equivalent Al and five equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing ZrAl2Sn5 pentagonal bipyramids. Both Zr–Al bond lengths are 2.78 Å. There are a spread of Zr–Sn bond distances ranging from 3.00–3.13 Å. Al is bonded to six equivalent Zr atoms to form distorted face-sharing AlZr6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1262885},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262885

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