Materials Data on ThB4 by Materials Project

doi:10.17188/1266583

Title: Materials Data on ThB4 by Materials Project

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Abstract

ThB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.09 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted trigonal planar geometry to six equivalent Th and three B atoms. There is two shorter (1.75 Å) and one longer (1.84 Å) B–B bond length. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. There is one shorter (1.66 Å) and four longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Th and five B atoms. Both B–B bond lengths are 1.84 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-542573

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; ThB4; B-Th

OSTI Identifier:: 1266583

DOI:: https://doi.org/10.17188/1266583

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                    The Materials Project. Materials Data on ThB4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266583.

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                    The Materials Project. Materials Data on ThB4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266583

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                    The Materials Project. 2020.  
"Materials Data on ThB4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266583.  https://www.osti.gov/servlets/purl/1266583. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1266583,

  title        = {Materials Data on ThB4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.09 Å. There are three inequivalent B sites. In the first B site, B is bonded in a distorted trigonal planar geometry to six equivalent Th and three B atoms. There is two shorter (1.75 Å) and one longer (1.84 Å) B–B bond length. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. There is one shorter (1.66 Å) and four longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four equivalent Th and five B atoms. Both B–B bond lengths are 1.84 Å.},

  doi          = {10.17188/1266583},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1266583

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