Materials Data on Zr5Re24 by Materials Project

doi:10.17188/1189736

Title: Materials Data on Zr5Re24 by Materials Project

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Abstract

Zr5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Re atoms. All Zr–Zr bond lengths are 3.15 Å. All Zr–Re bond lengths are 3.07 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to one Zr and fifteen Re atoms. There are a spread of Zr–Re bond distances ranging from 2.80–3.25 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Zr and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.55–2.94 Å. In the second Re site, Re is bonded to four Zr and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReZr4Re8 cuboctahedra. There are one shorter (2.53 Å) and two longer (2.70 Å) Re–Re bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1374

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; Zr5Re24; Re-Zr

OSTI Identifier:: 1189736

DOI:: https://doi.org/10.17188/1189736

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                    The Materials Project. Materials Data on Zr5Re24 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189736.

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                    The Materials Project. Materials Data on Zr5Re24 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189736

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                    The Materials Project. 2020.  
"Materials Data on Zr5Re24 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189736.  https://www.osti.gov/servlets/purl/1189736. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1189736,

  title        = {Materials Data on Zr5Re24 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr5Re24 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Re atoms. All Zr–Zr bond lengths are 3.15 Å. All Zr–Re bond lengths are 3.07 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to one Zr and fifteen Re atoms. There are a spread of Zr–Re bond distances ranging from 2.80–3.25 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Zr and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.55–2.94 Å. In the second Re site, Re is bonded to four Zr and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReZr4Re8 cuboctahedra. There are one shorter (2.53 Å) and two longer (2.70 Å) Re–Re bond lengths.},

  doi          = {10.17188/1189736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189736

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