Materials Data on Li(Sn3Pd)2 by Materials Project

doi:10.17188/1272625

Title: Materials Data on Li(Sn3Pd)2 by Materials Project

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Abstract

Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Pd and eight equivalent Sn atoms. Both Li–Pd bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.99 Å. Pd is bonded in a 9-coordinate geometry to one Li and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.97 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Pd atoms.

Publication Date:: 2020-04-29

Other Number(s):: mp-569331

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Li(Sn3Pd)2; Li-Pd-Sn; crystal structure

OSTI Identifier:: 1272625

DOI:: https://doi.org/10.17188/1272625

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                    Materials Data on Li(Sn3Pd)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272625.

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                    Materials Data on Li(Sn3Pd)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272625

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                    2020.  
"Materials Data on Li(Sn3Pd)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272625.  https://www.osti.gov/servlets/purl/1272625. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1272625,

  title        = {Materials Data on Li(Sn3Pd)2 by Materials Project},

  
  abstractNote = {Li(PdSn3)2 is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Li is bonded in a distorted q6 geometry to two equivalent Pd and eight equivalent Sn atoms. Both Li–Pd bond lengths are 2.85 Å. All Li–Sn bond lengths are 2.99 Å. Pd is bonded in a 9-coordinate geometry to one Li and eight Sn atoms. There are four shorter (2.82 Å) and four longer (2.97 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four equivalent Pd atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent Pd atoms.},

  doi          = {10.17188/1272625},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1272625

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