Materials Data on TiCoSi by Materials Project

doi:10.17188/1196616

Title: Materials Data on TiCoSi by Materials Project

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Abstract

TiCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent CoSi4 tetrahedra. There are two shorter (2.61 Å) and three longer (2.63 Å) Ti–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form distorted CoSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.34 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Co2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-21306

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; TiCoSi; Co-Si-Ti

OSTI Identifier:: 1196616

DOI:: https://doi.org/10.17188/1196616

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                    The Materials Project. Materials Data on TiCoSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196616.

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                    The Materials Project. Materials Data on TiCoSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1196616

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                    The Materials Project. 2020.  
"Materials Data on TiCoSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1196616.  https://www.osti.gov/servlets/purl/1196616. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196616,

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

  author       = {The Materials Project},

  abstractNote = {TiCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 square pyramids that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with six equivalent CoSi4 tetrahedra. There are two shorter (2.61 Å) and three longer (2.63 Å) Ti–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form distorted CoSi4 tetrahedra that share corners with eight equivalent TiSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent TiSi5 square pyramids, and edges with two equivalent CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.28–2.34 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Co2+ atoms.},

  doi          = {10.17188/1196616},

  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/10.17188/1196616

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