Materials Data on ThC2 by Materials Project

doi:10.17188/1275523

Title: Materials Data on ThC2 by Materials Project

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Abstract

ThC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent C2- atoms to form ThC8 hexagonal bipyramids that share corners with eight equivalent CTh4C trigonal bipyramids and edges with twelve equivalent ThC8 hexagonal bipyramids. There are four shorter (2.61 Å) and four longer (2.69 Å) Th–C bond lengths. C2- is bonded to four equivalent Th4+ and one C2- atom to form distorted CTh4C trigonal bipyramids that share corners with four equivalent ThC8 hexagonal bipyramids, corners with sixteen equivalent CTh4C trigonal bipyramids, and edges with six equivalent CTh4C trigonal bipyramids. The C–C bond length is 1.32 Å.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-570108

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; ThC2; C-Th

OSTI Identifier:: 1275523

DOI:: https://doi.org/10.17188/1275523

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                    The Materials Project. Materials Data on ThC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275523.

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                    The Materials Project. Materials Data on ThC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275523

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                    The Materials Project. 2020.  
"Materials Data on ThC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275523.  https://www.osti.gov/servlets/purl/1275523. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275523,

  title        = {Materials Data on ThC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent C2- atoms to form ThC8 hexagonal bipyramids that share corners with eight equivalent CTh4C trigonal bipyramids and edges with twelve equivalent ThC8 hexagonal bipyramids. There are four shorter (2.61 Å) and four longer (2.69 Å) Th–C bond lengths. C2- is bonded to four equivalent Th4+ and one C2- atom to form distorted CTh4C trigonal bipyramids that share corners with four equivalent ThC8 hexagonal bipyramids, corners with sixteen equivalent CTh4C trigonal bipyramids, and edges with six equivalent CTh4C trigonal bipyramids. The C–C bond length is 1.32 Å.},

  doi          = {10.17188/1275523},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275523

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