Materials Data on MgSn by Materials Project

doi:10.17188/1729209

Title: Materials Data on MgSn by Materials Project

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Abstract

MgSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.07–3.11 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg and eight Sn atoms. Both Mg–Mg bond lengths are 3.24 Å. There are four shorter (3.15 Å) and four longer (3.35 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four Mg atoms to form distorted corner-sharing SnMg4 tetrahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094524

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; MgSn; Mg-Sn

OSTI Identifier:: 1729209

DOI:: https://doi.org/10.17188/1729209

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                    The Materials Project. Materials Data on MgSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729209.

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                    The Materials Project. Materials Data on MgSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1729209

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                    The Materials Project. 2020.  
"Materials Data on MgSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1729209.  https://www.osti.gov/servlets/purl/1729209. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729209,

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

  author       = {The Materials Project},

  abstractNote = {MgSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.07–3.11 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg and eight Sn atoms. Both Mg–Mg bond lengths are 3.24 Å. There are four shorter (3.15 Å) and four longer (3.35 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four Mg atoms to form distorted corner-sharing SnMg4 tetrahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms.},

  doi          = {10.17188/1729209},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729209

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