Materials Data on Th3Co4Sn13 by Materials Project

doi:10.17188/1706994

Title: Materials Data on Th3Co4Sn13 by Materials Project

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Abstract

Th3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Th–Co bond lengths are 3.41 Å. There are four shorter (3.36 Å) and eight longer (3.41 Å) Th–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Co–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.30 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-1208367

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; Th3Co4Sn13; Co-Sn-Th

OSTI Identifier:: 1706994

DOI:: https://doi.org/10.17188/1706994

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                    The Materials Project. Materials Data on Th3Co4Sn13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706994.

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                    The Materials Project. Materials Data on Th3Co4Sn13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706994

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                    The Materials Project. 2020.  
"Materials Data on Th3Co4Sn13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706994.  https://www.osti.gov/servlets/purl/1706994. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1706994,

  title        = {Materials Data on Th3Co4Sn13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Th–Co bond lengths are 3.41 Å. There are four shorter (3.36 Å) and eight longer (3.41 Å) Th–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Co–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.30 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.},

  doi          = {10.17188/1706994},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1706994

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