Materials Data on Na9Sn4 by Materials Project

doi:10.17188/1266507

Title: Materials Data on Na9Sn4 by Materials Project

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Abstract

Na9Sn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Sn atoms. Both Na–Na bond lengths are 3.36 Å. There are four shorter (3.45 Å) and two longer (3.47 Å) Na–Sn bond lengths. In the second Na site, Na is bonded to three equivalent Na and four Sn atoms to form distorted edge-sharing NaNa3Sn4 tetrahedra. There are one shorter (3.39 Å) and two longer (3.40 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.21–3.37 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to three equivalent Na and four Sn atoms. There are two shorter (3.36 Å) and one longer (3.38 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.23–3.67 Å. In the fourth Na site, Na is bonded in a distorted q6 geometry to eight Na and three equivalent Sn atoms. The Na–Na bond length is 3.38 Å. There are one shorter (3.67 Å) and two longer (3.70 Å) Na–Sn bond lengths. In the fifth Namore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-542377

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; Na9Sn4; Na-Sn

OSTI Identifier:: 1266507

DOI:: https://doi.org/10.17188/1266507

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                    The Materials Project. Materials Data on Na9Sn4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266507.

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                    The Materials Project. Materials Data on Na9Sn4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266507

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                    The Materials Project. 2020.  
"Materials Data on Na9Sn4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266507.  https://www.osti.gov/servlets/purl/1266507. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1266507,

  title        = {Materials Data on Na9Sn4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na9Sn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Sn atoms. Both Na–Na bond lengths are 3.36 Å. There are four shorter (3.45 Å) and two longer (3.47 Å) Na–Sn bond lengths. In the second Na site, Na is bonded to three equivalent Na and four Sn atoms to form distorted edge-sharing NaNa3Sn4 tetrahedra. There are one shorter (3.39 Å) and two longer (3.40 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.21–3.37 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to three equivalent Na and four Sn atoms. There are two shorter (3.36 Å) and one longer (3.38 Å) Na–Na bond lengths. There are a spread of Na–Sn bond distances ranging from 3.23–3.67 Å. In the fourth Na site, Na is bonded in a distorted q6 geometry to eight Na and three equivalent Sn atoms. The Na–Na bond length is 3.38 Å. There are one shorter (3.67 Å) and two longer (3.70 Å) Na–Sn bond lengths. In the fifth Na site, Na is bonded in a distorted trigonal non-coplanar geometry to one Na and three equivalent Sn atoms. There are one shorter (3.27 Å) and two longer (3.28 Å) Na–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to ten Na and one Sn atom. The Sn–Sn bond length is 2.85 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to seven Na and one Sn atom. The Sn–Sn bond length is 2.99 Å.},

  doi          = {10.17188/1266507},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266507

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