Materials Data on ThRe2 by Materials Project

doi:10.17188/1182267

Title: Materials Data on ThRe2 by Materials Project

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Abstract

Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1659

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; ThRe2; Re-Th

OSTI Identifier:: 1182267

DOI:: https://doi.org/10.17188/1182267

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                    The Materials Project. Materials Data on ThRe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1182267.

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                    The Materials Project. Materials Data on ThRe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1182267

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                    The Materials Project. 2020.  
"Materials Data on ThRe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1182267.  https://www.osti.gov/servlets/purl/1182267. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1182267,

  title        = {Materials Data on ThRe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re2Th is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to twelve Re atoms. There are a spread of Th–Re bond distances ranging from 3.18–3.31 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Th and six equivalent Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. All Re–Re bond lengths are 2.84 Å. In the second Re site, Re is bonded to six equivalent Th and six Re atoms to form a mixture of edge, corner, and face-sharing ReTh6Re6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.75 Å) Re–Re bond lengths.},

  doi          = {10.17188/1182267},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1182267

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