Materials Data on Th(SiPd)2 by Materials Project

doi:10.17188/1267440

Title: Materials Data on Th(SiPd)2 by Materials Project

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Abstract

Th(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.21 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.37 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-5508

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; Th(SiPd)2; Pd-Si-Th

OSTI Identifier:: 1267440

DOI:: https://doi.org/10.17188/1267440

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                    The Materials Project. Materials Data on Th(SiPd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267440.

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                    The Materials Project. Materials Data on Th(SiPd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267440

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                    The Materials Project. 2020.  
"Materials Data on Th(SiPd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267440.  https://www.osti.gov/servlets/purl/1267440. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1267440,

  title        = {Materials Data on Th(SiPd)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent Si4- atoms to form ThSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent ThSi8 hexagonal bipyramids. All Th–Si bond lengths are 3.21 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent ThSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent ThSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.50 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.37 Å.},

  doi          = {10.17188/1267440},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267440

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