Materials Data on Nb2Co3Si by Materials Project

doi:10.17188/1187044

Title: Materials Data on Nb2Co3Si by Materials Project

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Abstract

Nb2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.87 Å) and three longer (2.95 Å) Nb–Nb bond lengths. There are three shorter (2.72 Å) and six longer (2.83 Å) Nb–Co bond lengths. All Nb–Si bond lengths are 2.85 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Si atoms to form CoNb6Co4Si2 cuboctahedra that share corners with four equivalent SiNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent CoNb6Co4Si2 cuboctahedra, faces with six equivalent SiNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Co4Si2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.48 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Nb and six equivalent Co atoms to form SiNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent SiNb6Co6 cuboctahedra, faces with two equivalent SiNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Co4Si2 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-10366

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; Nb2Co3Si; Co-Nb-Si

OSTI Identifier:: 1187044

DOI:: https://doi.org/10.17188/1187044

Citation Formats


                    The Materials Project. Materials Data on Nb2Co3Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187044.

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                    The Materials Project. Materials Data on Nb2Co3Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1187044

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                    The Materials Project. 2020.  
"Materials Data on Nb2Co3Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1187044.  https://www.osti.gov/servlets/purl/1187044. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187044,

  title        = {Materials Data on Nb2Co3Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.87 Å) and three longer (2.95 Å) Nb–Nb bond lengths. There are three shorter (2.72 Å) and six longer (2.83 Å) Nb–Co bond lengths. All Nb–Si bond lengths are 2.85 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Si atoms to form CoNb6Co4Si2 cuboctahedra that share corners with four equivalent SiNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent CoNb6Co4Si2 cuboctahedra, faces with six equivalent SiNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Co4Si2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.48 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Nb and six equivalent Co atoms to form SiNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Co4Si2 cuboctahedra, edges with six equivalent SiNb6Co6 cuboctahedra, faces with two equivalent SiNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Co4Si2 cuboctahedra.},

  doi          = {10.17188/1187044},

  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/10.17188/1187044

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