Materials Data on Sn3Hg by Materials Project

doi:10.17188/1717120

Title: Materials Data on Sn3Hg by Materials Project

Dataset
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Abstract

HgSn3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Sn atoms to form HgSn12 cuboctahedra that share corners with six equivalent HgSn12 cuboctahedra, corners with twelve equivalent SnSn8Hg4 cuboctahedra, edges with eighteen equivalent SnSn8Hg4 cuboctahedra, faces with eight equivalent HgSn12 cuboctahedra, and faces with twelve equivalent SnSn8Hg4 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.42 Å) Hg–Sn bond lengths. Sn is bonded to four equivalent Hg and eight equivalent Sn atoms to form SnSn8Hg4 cuboctahedra that share corners with four equivalent HgSn12 cuboctahedra, corners with fourteen equivalent SnSn8Hg4 cuboctahedra, edges with six equivalent HgSn12 cuboctahedra, edges with twelve equivalent SnSn8Hg4 cuboctahedra, faces with four equivalent HgSn12 cuboctahedra, and faces with sixteen equivalent SnSn8Hg4 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.34–3.43 Å.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1187047

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; Sn3Hg; Hg-Sn

OSTI Identifier:: 1717120

DOI:: https://doi.org/10.17188/1717120

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                    The Materials Project. Materials Data on Sn3Hg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717120.

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                    The Materials Project. Materials Data on Sn3Hg by Materials Project.  United States.  doi:https://doi.org/10.17188/1717120

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                    The Materials Project. 2020.  
"Materials Data on Sn3Hg by Materials Project".  United States.  doi:https://doi.org/10.17188/1717120.  https://www.osti.gov/servlets/purl/1717120. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1717120,

  title        = {Materials Data on Sn3Hg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgSn3 is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hg is bonded to twelve equivalent Sn atoms to form HgSn12 cuboctahedra that share corners with six equivalent HgSn12 cuboctahedra, corners with twelve equivalent SnSn8Hg4 cuboctahedra, edges with eighteen equivalent SnSn8Hg4 cuboctahedra, faces with eight equivalent HgSn12 cuboctahedra, and faces with twelve equivalent SnSn8Hg4 cuboctahedra. There are six shorter (3.34 Å) and six longer (3.42 Å) Hg–Sn bond lengths. Sn is bonded to four equivalent Hg and eight equivalent Sn atoms to form SnSn8Hg4 cuboctahedra that share corners with four equivalent HgSn12 cuboctahedra, corners with fourteen equivalent SnSn8Hg4 cuboctahedra, edges with six equivalent HgSn12 cuboctahedra, edges with twelve equivalent SnSn8Hg4 cuboctahedra, faces with four equivalent HgSn12 cuboctahedra, and faces with sixteen equivalent SnSn8Hg4 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.34–3.43 Å.},

  doi          = {10.17188/1717120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1717120

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