Materials Data on ErRu2 by Materials Project

doi:10.17188/1274989

Title: Materials Data on ErRu2 by Materials Project

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Abstract

ErRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Er–Ru bond distances ranging from 3.09–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Er and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. In the second Ru site, Ru is bonded to six equivalent Er and six Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.70 Å) Ru–Ru bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jun 06 00:00:00 EDT 2019

Other Number(s):: mp-569220

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; ErRu2; Er-Ru

OSTI Identifier:: 1274989

DOI:: https://doi.org/10.17188/1274989

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                    The Materials Project. Materials Data on ErRu2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1274989.

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                    The Materials Project. Materials Data on ErRu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274989

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                    The Materials Project. 2019.  
"Materials Data on ErRu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274989.  https://www.osti.gov/servlets/purl/1274989. Pub date:Thu Jun 06 00:00:00 EDT 2019

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@article{osti_1274989,

  title        = {Materials Data on ErRu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErRu2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve Ru atoms. There are a spread of Er–Ru bond distances ranging from 3.09–3.18 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to six equivalent Er and six equivalent Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.72 Å. In the second Ru site, Ru is bonded to six equivalent Er and six Ru atoms to form a mixture of corner, edge, and face-sharing RuEr6Ru6 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.70 Å) Ru–Ru bond lengths.},

  doi          = {10.17188/1274989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 06 00:00:00 EDT 2019},

  month        = {Thu Jun 06 00:00:00 EDT 2019}

}

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DOI: https://doi.org/10.17188/1274989

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