Materials Data on Ti2Co3Si by Materials Project

doi:10.17188/1682724

Title: Materials Data on Ti2Co3Si by Materials Project

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Abstract

Ti2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.83 Å) and three longer (2.92 Å) Ti–Ti bond lengths. There are three shorter (2.65 Å) and six longer (2.80 Å) Ti–Co bond lengths. All Ti–Si bond lengths are 2.82 Å. Co is bonded to six equivalent Ti, four equivalent Co, and two equivalent Si atoms to form CoTi6Co4Si2 cuboctahedra that share corners with four equivalent SiTi6Co6 cuboctahedra, corners with fourteen equivalent CoTi6Co4Si2 cuboctahedra, edges with six equivalent CoTi6Co4Si2 cuboctahedra, faces with six equivalent SiTi6Co6 cuboctahedra, and faces with twelve equivalent CoTi6Co4Si2 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.48 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.33 Å. Si is bonded to six equivalent Ti and six equivalent Co atoms to form SiTi6Co6 cuboctahedra that share corners with twelve equivalent CoTi6Co4Si2 cuboctahedra, edges with six equivalent SiTi6Co6 cuboctahedra, faces with two equivalent SiTi6Co6 cuboctahedra, and faces with eighteen equivalent CoTi6Co4Si2 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1217162

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; Ti2Co3Si; Co-Si-Ti

OSTI Identifier:: 1682724

DOI:: https://doi.org/10.17188/1682724

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                    The Materials Project. Materials Data on Ti2Co3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682724.

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                    The Materials Project. Materials Data on Ti2Co3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1682724

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                    The Materials Project. 2020.  
"Materials Data on Ti2Co3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1682724.  https://www.osti.gov/servlets/purl/1682724. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1682724,

  title        = {Materials Data on Ti2Co3Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.83 Å) and three longer (2.92 Å) Ti–Ti bond lengths. There are three shorter (2.65 Å) and six longer (2.80 Å) Ti–Co bond lengths. All Ti–Si bond lengths are 2.82 Å. Co is bonded to six equivalent Ti, four equivalent Co, and two equivalent Si atoms to form CoTi6Co4Si2 cuboctahedra that share corners with four equivalent SiTi6Co6 cuboctahedra, corners with fourteen equivalent CoTi6Co4Si2 cuboctahedra, edges with six equivalent CoTi6Co4Si2 cuboctahedra, faces with six equivalent SiTi6Co6 cuboctahedra, and faces with twelve equivalent CoTi6Co4Si2 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.48 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.33 Å. Si is bonded to six equivalent Ti and six equivalent Co atoms to form SiTi6Co6 cuboctahedra that share corners with twelve equivalent CoTi6Co4Si2 cuboctahedra, edges with six equivalent SiTi6Co6 cuboctahedra, faces with two equivalent SiTi6Co6 cuboctahedra, and faces with eighteen equivalent CoTi6Co4Si2 cuboctahedra.},

  doi          = {10.17188/1682724},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682724

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