Materials Data on ThB2C by Materials Project

doi:10.17188/1204396

Title: Materials Data on ThB2C by Materials Project

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Abstract

ThB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Th–C bond lengths are 2.58 Å. In the second Th4+ site, Th4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.72 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded in a distorted linear geometry to four Th4+ and two equivalent B atoms.

Authors:: The Materials Project

Publication Date:: 2017-05-10

Other Number(s):: mp-2997

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; ThB2C; B-C-Th

OSTI Identifier:: 1204396

DOI:: https://doi.org/10.17188/1204396

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                    The Materials Project. Materials Data on ThB2C by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204396.

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                    The Materials Project. Materials Data on ThB2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1204396

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                    The Materials Project. 2017.  
"Materials Data on ThB2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1204396.  https://www.osti.gov/servlets/purl/1204396. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1204396,

  title        = {Materials Data on ThB2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Th–C bond lengths are 2.58 Å. In the second Th4+ site, Th4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.72 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded in a distorted linear geometry to four Th4+ and two equivalent B atoms.},

  doi          = {10.17188/1204396},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1204396

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