Materials Data on Th3(SbAs)2 by Materials Project

doi:10.17188/1724890

Title: Materials Data on Th3(SbAs)2 by Materials Project

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Abstract

Th3(SbAs)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Th4+ is bonded to four equivalent Sb3- and four equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing ThSb4As4 hexagonal bipyramids. There are two shorter (3.18 Å) and two longer (3.28 Å) Th–Sb bond lengths. There are two shorter (3.12 Å) and two longer (3.14 Å) Th–As bond lengths. Sb3- is bonded in a 6-coordinate geometry to six equivalent Th4+ atoms. As3- is bonded to six equivalent Th4+ atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 22–46°.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1217386

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; Th3(SbAs)2; As-Sb-Th

OSTI Identifier:: 1724890

DOI:: https://doi.org/10.17188/1724890

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                    The Materials Project. Materials Data on Th3(SbAs)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724890.

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                    The Materials Project. Materials Data on Th3(SbAs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724890

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                    The Materials Project. 2020.  
"Materials Data on Th3(SbAs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724890.  https://www.osti.gov/servlets/purl/1724890. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1724890,

  title        = {Materials Data on Th3(SbAs)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th3(SbAs)2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Th4+ is bonded to four equivalent Sb3- and four equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing ThSb4As4 hexagonal bipyramids. There are two shorter (3.18 Å) and two longer (3.28 Å) Th–Sb bond lengths. There are two shorter (3.12 Å) and two longer (3.14 Å) Th–As bond lengths. Sb3- is bonded in a 6-coordinate geometry to six equivalent Th4+ atoms. As3- is bonded to six equivalent Th4+ atoms to form a mixture of face and corner-sharing AsTh6 octahedra. The corner-sharing octahedra tilt angles range from 22–46°.},

  doi          = {10.17188/1724890},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1724890

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