Materials Data on ThB2Pd2C by Materials Project

doi:10.17188/1355476

Title: Materials Data on ThB2Pd2C by Materials Project

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Abstract

ThPd2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Th–C bond lengths are 2.73 Å. Pd2+ is bonded to four equivalent B3- atoms to form a mixture of corner and edge-sharing PdB4 tetrahedra. All Pd–B bond lengths are 2.28 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Pd2+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B3- atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1025041

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; ThB2Pd2C; B-C-Pd-Th

OSTI Identifier:: 1355476

DOI:: https://doi.org/10.17188/1355476

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                    The Materials Project. Materials Data on ThB2Pd2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355476.

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                    The Materials Project. Materials Data on ThB2Pd2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1355476

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                    The Materials Project. 2020.  
"Materials Data on ThB2Pd2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1355476.  https://www.osti.gov/servlets/purl/1355476. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1355476,

  title        = {Materials Data on ThB2Pd2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThPd2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Th–C bond lengths are 2.73 Å. Pd2+ is bonded to four equivalent B3- atoms to form a mixture of corner and edge-sharing PdB4 tetrahedra. All Pd–B bond lengths are 2.28 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Pd2+ and one C2- atom. The B–C bond length is 1.49 Å. C2- is bonded in a distorted linear geometry to four equivalent Th4+ and two equivalent B3- atoms.},

  doi          = {10.17188/1355476},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355476

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