Materials Data on Th3Sn13Os4 by Materials Project

doi:10.17188/1747231

Title: Materials Data on Th3Sn13Os4 by Materials Project

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Abstract

Th3Os4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Os and twelve equivalent Sn atoms. All Th–Os bond lengths are 3.47 Å. All Th–Sn bond lengths are 3.46 Å. Os is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Os–Sn bond lengths are 2.69 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 Os, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1208301

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; Th3Sn13Os4; Os-Sn-Th

OSTI Identifier:: 1747231

DOI:: https://doi.org/10.17188/1747231

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                    The Materials Project. Materials Data on Th3Sn13Os4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747231.

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                    The Materials Project. Materials Data on Th3Sn13Os4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1747231

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                    The Materials Project. 2020.  
"Materials Data on Th3Sn13Os4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1747231.  https://www.osti.gov/servlets/purl/1747231. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1747231,

  title        = {Materials Data on Th3Sn13Os4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3Os4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Os and twelve equivalent Sn atoms. All Th–Os bond lengths are 3.47 Å. All Th–Sn bond lengths are 3.46 Å. Os is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Os–Sn bond lengths are 2.69 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 Os, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.},

  doi          = {10.17188/1747231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1747231

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