Materials Data on ThAl2Co3 by Materials Project

doi:10.17188/1744270

Title: Materials Data on ThAl2Co3 by Materials Project

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Abstract

ThCo3Al2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to ten Co atoms. There are a spread of Th–Co bond distances ranging from 2.82–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Th, four equivalent Co, and four equivalent Al atoms. All Co–Co bond lengths are 2.48 Å. All Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th, five Co, and four equivalent Al atoms. There are one shorter (2.76 Å) and two longer (3.01 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.55 Å. Al is bonded to six Co atoms to form a mixture of distorted edge, corner, and face-sharing AlCo6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1217301

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; ThAl2Co3; Al-Co-Th

OSTI Identifier:: 1744270

DOI:: https://doi.org/10.17188/1744270

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                    The Materials Project. Materials Data on ThAl2Co3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744270.

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                    The Materials Project. Materials Data on ThAl2Co3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744270

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                    The Materials Project. 2020.  
"Materials Data on ThAl2Co3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744270.  https://www.osti.gov/servlets/purl/1744270. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1744270,

  title        = {Materials Data on ThAl2Co3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThCo3Al2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to ten Co atoms. There are a spread of Th–Co bond distances ranging from 2.82–3.35 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent Th, four equivalent Co, and four equivalent Al atoms. All Co–Co bond lengths are 2.48 Å. All Co–Al bond lengths are 2.48 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Th, five Co, and four equivalent Al atoms. There are one shorter (2.76 Å) and two longer (3.01 Å) Co–Co bond lengths. All Co–Al bond lengths are 2.55 Å. Al is bonded to six Co atoms to form a mixture of distorted edge, corner, and face-sharing AlCo6 cuboctahedra.},

  doi          = {10.17188/1744270},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744270

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