Materials Data on Th(CuSn)2 by Materials Project

doi:10.17188/1316235

Title: Materials Data on Th(CuSn)2 by Materials Project

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Abstract

Th(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.37 Å) and four longer (3.43 Å) Th–Cu bond lengths. There are four shorter (3.37 Å) and four longer (3.55 Å) Th–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Th and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Th and five Sn atoms. There are one shorter (2.50 Å) and four longer (2.65 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Th and five Cu atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-980084

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; Th(CuSn)2; Cu-Sn-Th

OSTI Identifier:: 1316235

DOI:: https://doi.org/10.17188/1316235

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                    The Materials Project. Materials Data on Th(CuSn)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316235.

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                    The Materials Project. Materials Data on Th(CuSn)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316235

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                    The Materials Project. 2020.  
"Materials Data on Th(CuSn)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316235.  https://www.osti.gov/servlets/purl/1316235. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1316235,

  title        = {Materials Data on Th(CuSn)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th(CuSn)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight Cu and eight Sn atoms. There are four shorter (3.37 Å) and four longer (3.43 Å) Th–Cu bond lengths. There are four shorter (3.37 Å) and four longer (3.55 Å) Th–Sn bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent Th and four equivalent Sn atoms. All Cu–Sn bond lengths are 2.61 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to four equivalent Th and five Sn atoms. There are one shorter (2.50 Å) and four longer (2.65 Å) Cu–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Th and five Cu atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Th and four equivalent Cu atoms.},

  doi          = {10.17188/1316235},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316235

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