Materials Data on Zr5CdSb2 by Materials Project

doi:10.17188/1666867

Title: Materials Data on Zr5CdSb2 by Materials Project

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Abstract

Zr5CdSb2 crystallizes in the tetragonal I4/mcm 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 Zr and four equivalent Sb atoms. Both Zr–Zr bond lengths are 2.81 Å. All Zr–Sb bond lengths are 2.97 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Cd and four equivalent Sb atoms. Both Zr–Cd bond lengths are 3.03 Å. There are a spread of Zr–Sb bond distances ranging from 2.99–3.23 Å. Cd is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cd atoms. Both Cd–Cd bond lengths are 2.81 Å. Sb is bonded in a 10-coordinate geometry to ten Zr atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207394

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; Zr5CdSb2; Cd-Sb-Zr

OSTI Identifier:: 1666867

DOI:: https://doi.org/10.17188/1666867

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                    The Materials Project. Materials Data on Zr5CdSb2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1666867.

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                    The Materials Project. Materials Data on Zr5CdSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666867

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                    The Materials Project. 2019.  
"Materials Data on Zr5CdSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666867.  https://www.osti.gov/servlets/purl/1666867. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1666867,

  title        = {Materials Data on Zr5CdSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5CdSb2 crystallizes in the tetragonal I4/mcm 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 Zr and four equivalent Sb atoms. Both Zr–Zr bond lengths are 2.81 Å. All Zr–Sb bond lengths are 2.97 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to two equivalent Cd and four equivalent Sb atoms. Both Zr–Cd bond lengths are 3.03 Å. There are a spread of Zr–Sb bond distances ranging from 2.99–3.23 Å. Cd is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cd atoms. Both Cd–Cd bond lengths are 2.81 Å. Sb is bonded in a 10-coordinate geometry to ten Zr atoms.},

  doi          = {10.17188/1666867},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1666867

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