Materials Data on LiSnAu by Materials Project

doi:10.17188/1188489

Title: Materials Data on LiSnAu by Materials Project

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Abstract

LiAuSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to two equivalent Li, six equivalent Au, and six equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing LiLi2Sn6Au6 cuboctahedra. Both Li–Li bond lengths are 3.07 Å. All Li–Au bond lengths are 3.14 Å. All Li–Sn bond lengths are 3.14 Å. Au is bonded in a 11-coordinate geometry to six equivalent Li and five equivalent Sn atoms. There are three shorter (2.74 Å) and two longer (3.07 Å) Au–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to six equivalent Li and five equivalent Au atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-11977

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; LiSnAu; Au-Li-Sn

OSTI Identifier:: 1188489

DOI:: https://doi.org/10.17188/1188489

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                    The Materials Project. Materials Data on LiSnAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188489.

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                    The Materials Project. Materials Data on LiSnAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1188489

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                    The Materials Project. 2020.  
"Materials Data on LiSnAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1188489.  https://www.osti.gov/servlets/purl/1188489. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188489,

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

  author       = {The Materials Project},

  abstractNote = {LiAuSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to two equivalent Li, six equivalent Au, and six equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing LiLi2Sn6Au6 cuboctahedra. Both Li–Li bond lengths are 3.07 Å. All Li–Au bond lengths are 3.14 Å. All Li–Sn bond lengths are 3.14 Å. Au is bonded in a 11-coordinate geometry to six equivalent Li and five equivalent Sn atoms. There are three shorter (2.74 Å) and two longer (3.07 Å) Au–Sn bond lengths. Sn is bonded in a 11-coordinate geometry to six equivalent Li and five equivalent Au atoms.},

  doi          = {10.17188/1188489},

  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/10.17188/1188489

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