Materials Data on ThZn4 by Materials Project

doi:10.17188/1263564

Title: Materials Data on ThZn4 by Materials Project

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Abstract

ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-536

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; ThZn4; Th-Zn

OSTI Identifier:: 1263564

DOI:: https://doi.org/10.17188/1263564

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                    The Materials Project. Materials Data on ThZn4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263564.

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                    The Materials Project. Materials Data on ThZn4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263564

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                    The Materials Project. 2020.  
"Materials Data on ThZn4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263564.  https://www.osti.gov/servlets/purl/1263564. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1263564,

  title        = {Materials Data on ThZn4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThZn4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to sixteen Zn atoms. There are eight shorter (3.27 Å) and eight longer (3.35 Å) Th–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Th and five Zn atoms. There are one shorter (2.43 Å) and four longer (2.54 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to four equivalent Th and eight Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnTh4Zn8 cuboctahedra. All Zn–Zn bond lengths are 3.04 Å.},

  doi          = {10.17188/1263564},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263564

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