Materials Data on Zr5Bi3 by Materials Project

doi:10.17188/1652607

Title: Materials Data on Zr5Bi3 by Materials Project

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Abstract

Zr5Bi3 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 two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Bi bond lengths are 3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.16 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1207392

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; Zr5Bi3; Bi-Zr

OSTI Identifier:: 1652607

DOI:: https://doi.org/10.17188/1652607

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                    The Materials Project. Materials Data on Zr5Bi3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1652607.

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                    The Materials Project. Materials Data on Zr5Bi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652607

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                    The Materials Project. 2019.  
"Materials Data on Zr5Bi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652607.  https://www.osti.gov/servlets/purl/1652607. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1652607,

  title        = {Materials Data on Zr5Bi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5Bi3 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 two equivalent Zr and six equivalent Bi atoms. Both Zr–Zr bond lengths are 2.95 Å. All Zr–Bi bond lengths are 3.09 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to five equivalent Bi atoms. There are a spread of Zr–Bi bond distances ranging from 2.97–3.16 Å. Bi is bonded in a 9-coordinate geometry to nine Zr atoms.},

  doi          = {10.17188/1652607},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1652607

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