Materials Data on Sn3Bi by Materials Project

doi:10.17188/1738386

Title: Materials Data on Sn3Bi by Materials Project

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Abstract

BiSn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Bi atoms. All Sn–Bi bond lengths are 3.33 Å. In the second Sn site, Sn is bonded to four equivalent Sn and four equivalent Bi atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with four equivalent BiSn12 cuboctahedra, edges with six equivalent SnSn4Bi4 cuboctahedra, and faces with four equivalent SnSn4Bi4 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å. All Sn–Bi bond lengths are 3.54 Å. Bi is bonded to twelve Sn atoms to form BiSn12 cuboctahedra that share corners with four equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent BiSn12 cuboctahedra, and faces with four equivalent BiSn12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1039344

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; Sn3Bi; Bi-Sn

OSTI Identifier:: 1738386

DOI:: https://doi.org/10.17188/1738386

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                    The Materials Project. Materials Data on Sn3Bi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738386.

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                    The Materials Project. Materials Data on Sn3Bi by Materials Project.  United States.  doi:https://doi.org/10.17188/1738386

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                    The Materials Project. 2020.  
"Materials Data on Sn3Bi by Materials Project".  United States.  doi:https://doi.org/10.17188/1738386.  https://www.osti.gov/servlets/purl/1738386. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738386,

  title        = {Materials Data on Sn3Bi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiSn3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a square co-planar geometry to four equivalent Bi atoms. All Sn–Bi bond lengths are 3.33 Å. In the second Sn site, Sn is bonded to four equivalent Sn and four equivalent Bi atoms to form distorted SnSn4Bi4 cuboctahedra that share corners with eight equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with four equivalent BiSn12 cuboctahedra, edges with six equivalent SnSn4Bi4 cuboctahedra, and faces with four equivalent SnSn4Bi4 cuboctahedra. All Sn–Sn bond lengths are 3.33 Å. All Sn–Bi bond lengths are 3.54 Å. Bi is bonded to twelve Sn atoms to form BiSn12 cuboctahedra that share corners with four equivalent BiSn12 cuboctahedra, corners with sixteen equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent SnSn4Bi4 cuboctahedra, edges with eight equivalent BiSn12 cuboctahedra, and faces with four equivalent BiSn12 cuboctahedra.},

  doi          = {10.17188/1738386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738386

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