Materials Data on ThSiOs2C by Materials Project

doi:10.17188/1752992

Title: Materials Data on ThSiOs2C by Materials Project

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Abstract

ThOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. All Th–C bond lengths are 2.75 Å. Os2- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one C4- atom. There are one shorter (2.51 Å) and two longer (2.53 Å) Os–Si bond lengths. The Os–C bond length is 1.90 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms. C4- is bonded to four equivalent Th4+ and two equivalent Os2- atoms to form a mixture of edge and corner-sharing CTh4Os2 octahedra. The corner-sharing octahedral tilt angles are 25°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208232

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; ThSiOs2C; C-Os-Si-Th

OSTI Identifier:: 1752992

DOI:: https://doi.org/10.17188/1752992

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                    The Materials Project. Materials Data on ThSiOs2C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752992.

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                    The Materials Project. Materials Data on ThSiOs2C by Materials Project.  United States.  doi:https://doi.org/10.17188/1752992

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                    The Materials Project. 2020.  
"Materials Data on ThSiOs2C by Materials Project".  United States.  doi:https://doi.org/10.17188/1752992.  https://www.osti.gov/servlets/purl/1752992. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752992,

  title        = {Materials Data on ThSiOs2C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ThOs2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent C4- atoms. All Th–C bond lengths are 2.75 Å. Os2- is bonded in a 4-coordinate geometry to three equivalent Si4+ and one C4- atom. There are one shorter (2.51 Å) and two longer (2.53 Å) Os–Si bond lengths. The Os–C bond length is 1.90 Å. Si4+ is bonded in a 6-coordinate geometry to six equivalent Os2- atoms. C4- is bonded to four equivalent Th4+ and two equivalent Os2- atoms to form a mixture of edge and corner-sharing CTh4Os2 octahedra. The corner-sharing octahedral tilt angles are 25°.},

  doi          = {10.17188/1752992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752992

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