Materials Data on ZrRu2 by Materials Project

doi:10.17188/1275399

Title: Materials Data on ZrRu2 by Materials Project

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Abstract

Ru2Zr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Zr–Ru bond distances ranging from 3.04–3.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Zr and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Zr and six Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.68 Å) Ru–Ru bond lengths.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-569979

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; ZrRu2; Ru-Zr

OSTI Identifier:: 1275399

DOI:: https://doi.org/10.17188/1275399

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                    The Materials Project. Materials Data on ZrRu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275399.

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                    The Materials Project. Materials Data on ZrRu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275399

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                    The Materials Project. 2020.  
"Materials Data on ZrRu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275399.  https://www.osti.gov/servlets/purl/1275399. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1275399,

  title        = {Materials Data on ZrRu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ru2Zr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Zr–Ru bond distances ranging from 3.04–3.08 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Zr and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. In the second Ru site, Ru is bonded to six equivalent Zr and six Ru atoms to form a mixture of corner, edge, and face-sharing RuZr6Ru6 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.68 Å) Ru–Ru bond lengths.},

  doi          = {10.17188/1275399},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275399

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