Materials Data on Yb(In2Au)2 by Materials Project

doi:10.17188/1678032

Title: Materials Data on Yb(In2Au)2 by Materials Project

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Abstract

Yb(AuIn2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to four Au and ten In atoms. There are two shorter (3.34 Å) and two longer (3.40 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.35–3.64 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.02 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the third In site, In is bonded to one Yb and four Au atoms to form a mixture of distorted edge and corner-sharing InYbAu4 tetrahedra. In the fourth Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1104570

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; Yb(In2Au)2; Au-In-Yb

OSTI Identifier:: 1678032

DOI:: https://doi.org/10.17188/1678032

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                    The Materials Project. Materials Data on Yb(In2Au)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678032.

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                    The Materials Project. Materials Data on Yb(In2Au)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678032

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                    The Materials Project. 2020.  
"Materials Data on Yb(In2Au)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678032.  https://www.osti.gov/servlets/purl/1678032. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678032,

  title        = {Materials Data on Yb(In2Au)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(AuIn2)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Yb is bonded in a 2-coordinate geometry to four Au and ten In atoms. There are two shorter (3.34 Å) and two longer (3.40 Å) Yb–Au bond lengths. There are a spread of Yb–In bond distances ranging from 3.35–3.64 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.92 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.02 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three equivalent Yb and three equivalent Au atoms. In the third In site, In is bonded to one Yb and four Au atoms to form a mixture of distorted edge and corner-sharing InYbAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Yb and four Au atoms.},

  doi          = {10.17188/1678032},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678032

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