Materials Data on Y5Si3C by Materials Project

doi:10.17188/1681557

Title: Materials Data on Y5Si3C by Materials Project

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Abstract

Y5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Y–Si bond lengths are 3.03 Å. In the second Y3+ site, Y3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Y–Si bond distances ranging from 2.99–3.57 Å. Both Y–C bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to nine Y3+ atoms. C3- is bonded to six equivalent Y3+ atoms to form face-sharing CY6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1188646

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; Y5Si3C; C-Si-Y

OSTI Identifier:: 1681557

DOI:: https://doi.org/10.17188/1681557

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                    The Materials Project. Materials Data on Y5Si3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681557.

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                    The Materials Project. Materials Data on Y5Si3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1681557

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                    The Materials Project. 2020.  
"Materials Data on Y5Si3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1681557.  https://www.osti.gov/servlets/purl/1681557. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681557,

  title        = {Materials Data on Y5Si3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, corner, and face-sharing YSi6 octahedra. The corner-sharing octahedral tilt angles are 30°. All Y–Si bond lengths are 3.03 Å. In the second Y3+ site, Y3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C3- atoms. There are a spread of Y–Si bond distances ranging from 2.99–3.57 Å. Both Y–C bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to nine Y3+ atoms. C3- is bonded to six equivalent Y3+ atoms to form face-sharing CY6 octahedra.},

  doi          = {10.17188/1681557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1681557

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