Materials Data on Zr5ZnSb3 by Materials Project

doi:10.17188/1187414

Title: Materials Data on Zr5ZnSb3 by Materials Project

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Abstract

Zr5ZnSb3 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 to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10870

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; Zr5ZnSb3; Sb-Zn-Zr

OSTI Identifier:: 1187414

DOI:: https://doi.org/10.17188/1187414

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                    The Materials Project. Materials Data on Zr5ZnSb3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187414.

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                    The Materials Project. Materials Data on Zr5ZnSb3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187414

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                    The Materials Project. 2020.  
"Materials Data on Zr5ZnSb3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187414.  https://www.osti.gov/servlets/purl/1187414. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187414,

  title        = {Materials Data on Zr5ZnSb3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5ZnSb3 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 to two equivalent Zn and five equivalent Sb atoms to form a mixture of distorted edge, face, and corner-sharing ZrZn2Sb5 pentagonal bipyramids. Both Zr–Zn bond lengths are 2.76 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.11 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.07 Å. Zn is bonded to six equivalent Zr atoms to form distorted face-sharing ZnZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1187414},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187414

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