Materials Data on Zr2Sb by Materials Project

doi:10.17188/1205618

Title: Materials Data on Zr2Sb by Materials Project

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Abstract

Zr2Sb crystallizes in the tetragonal I4/mmm 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 four equivalent Zr and four equivalent Sb atoms. All Zr–Zr bond lengths are 2.93 Å. All Zr–Sb bond lengths are 3.03 Å. In the second Zr site, Zr is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing ZrSb5 square pyramids. There are one shorter (2.94 Å) and four longer (2.99 Å) Zr–Sb bond lengths. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-31379

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; Zr2Sb; Sb-Zr

OSTI Identifier:: 1205618

DOI:: https://doi.org/10.17188/1205618

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                    The Materials Project. Materials Data on Zr2Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205618.

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                    The Materials Project. Materials Data on Zr2Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1205618

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                    The Materials Project. 2020.  
"Materials Data on Zr2Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1205618.  https://www.osti.gov/servlets/purl/1205618. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1205618,

  title        = {Materials Data on Zr2Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2Sb crystallizes in the tetragonal I4/mmm 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 four equivalent Zr and four equivalent Sb atoms. All Zr–Zr bond lengths are 2.93 Å. All Zr–Sb bond lengths are 3.03 Å. In the second Zr site, Zr is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing ZrSb5 square pyramids. There are one shorter (2.94 Å) and four longer (2.99 Å) Zr–Sb bond lengths. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1205618},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205618

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