Materials Data on YbSi3C4 by Materials Project

doi:10.17188/1695921

Title: Materials Data on YbSi3C4 by Materials Project

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Abstract

Si3YbC4 is lead oxide-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Yb3+ is bonded in a distorted rectangular see-saw-like geometry to four C+3.75- atoms. There are three shorter (2.36 Å) and one longer (2.48 Å) Yb–C bond lengths. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.95 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.91 Å) and one longer (1.92 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is one shorter (1.86 Å) and three longer (1.92 Å) Si–C bond length. There are four inequivalent C+3.75- sites. In the first C+3.75- site, C+3.75- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C+3.75- site, C+3.75- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C+3.75- site, C+3.75- is bonded in a distorted rectangular see-saw-like geometry to three equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1215557

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; YbSi3C4; C-Si-Yb

OSTI Identifier:: 1695921

DOI:: https://doi.org/10.17188/1695921

Citation Formats


                    The Materials Project. Materials Data on YbSi3C4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1695921.

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                    The Materials Project. Materials Data on YbSi3C4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695921

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                    The Materials Project. 2019.  
"Materials Data on YbSi3C4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695921.  https://www.osti.gov/servlets/purl/1695921. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1695921,

  title        = {Materials Data on YbSi3C4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si3YbC4 is lead oxide-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Yb3+ is bonded in a distorted rectangular see-saw-like geometry to four C+3.75- atoms. There are three shorter (2.36 Å) and one longer (2.48 Å) Yb–C bond lengths. There are three inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.89 Å) and one longer (1.95 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is three shorter (1.91 Å) and one longer (1.92 Å) Si–C bond length. In the third Si4+ site, Si4+ is bonded to four C+3.75- atoms to form corner-sharing SiC4 tetrahedra. There is one shorter (1.86 Å) and three longer (1.92 Å) Si–C bond length. There are four inequivalent C+3.75- sites. In the first C+3.75- site, C+3.75- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the second C+3.75- site, C+3.75- is bonded to four Si4+ atoms to form corner-sharing CSi4 tetrahedra. In the third C+3.75- site, C+3.75- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Yb3+ and one Si4+ atom. In the fourth C+3.75- site, C+3.75- is bonded to one Yb3+ and three equivalent Si4+ atoms to form corner-sharing CYbSi3 tetrahedra.},

  doi          = {10.17188/1695921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1695921

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