Materials Data on YbSiAu by Materials Project

doi:10.17188/1187125

Title: Materials Data on YbSiAu by Materials Project

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Abstract

YbAuSi crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Yb–Au bond lengths. There are two shorter (3.08 Å) and four longer (3.32 Å) Yb–Si bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are four shorter (3.11 Å) and two longer (3.26 Å) Yb–Au bond lengths. There are four shorter (3.00 Å) and two longer (3.19 Å) Yb–Si bond lengths. Au1+ is bonded in a 10-coordinate geometry to six Yb3+ and three equivalent Si4- atoms. There are two shorter (2.59 Å) and one longer (2.63 Å) Au–Si bond lengths. Si4- is bonded in a 3-coordinate geometry to six Yb3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.53 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-10443

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; YbSiAu; Au-Si-Yb

OSTI Identifier:: 1187125

DOI:: https://doi.org/10.17188/1187125

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                    The Materials Project. Materials Data on YbSiAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187125.

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                    The Materials Project. Materials Data on YbSiAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1187125

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                    The Materials Project. 2020.  
"Materials Data on YbSiAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1187125.  https://www.osti.gov/servlets/purl/1187125. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187125,

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

  author       = {The Materials Project},

  abstractNote = {YbAuSi crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are two shorter (3.00 Å) and four longer (3.13 Å) Yb–Au bond lengths. There are two shorter (3.08 Å) and four longer (3.32 Å) Yb–Si bond lengths. In the second Yb3+ site, Yb3+ is bonded in a 12-coordinate geometry to six equivalent Au1+ and six equivalent Si4- atoms. There are four shorter (3.11 Å) and two longer (3.26 Å) Yb–Au bond lengths. There are four shorter (3.00 Å) and two longer (3.19 Å) Yb–Si bond lengths. Au1+ is bonded in a 10-coordinate geometry to six Yb3+ and three equivalent Si4- atoms. There are two shorter (2.59 Å) and one longer (2.63 Å) Au–Si bond lengths. Si4- is bonded in a 3-coordinate geometry to six Yb3+, three equivalent Au1+, and one Si4- atom. The Si–Si bond length is 2.53 Å.},

  doi          = {10.17188/1187125},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187125

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