Materials Data on MgSn2 by Materials Project

doi:10.17188/1738614

Title: Materials Data on MgSn2 by Materials Project

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Abstract

MgSn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.02–3.34 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.13–3.26 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1094212

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; Mg-Sn; MgSn2; crystal structure

OSTI Identifier:: 1738614

DOI:: https://doi.org/10.17188/1738614

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                    Materials Data on MgSn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738614.

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                    Materials Data on MgSn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738614

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                    2020.  
"Materials Data on MgSn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738614.  https://www.osti.gov/servlets/purl/1738614. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1738614,

  title        = {Materials Data on MgSn2 by Materials Project},

  
  abstractNote = {MgSn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.02–3.34 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.13–3.26 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms.},

  doi          = {10.17188/1738614},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738614

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Materials Data on MgSn2 by Materials Project

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MgSn2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to nine Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.22–3.41 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent Mg and six equivalent Sn atoms to form a mixture of edge and corner-sharing SnMg6Sn6 cuboctahedra. All Sn–Sn bond lengths are 3.23 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg and two equivalent Sn atoms.
Materials Data on MgSn2 by Materials Project

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MgSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to ten equivalent Sn atoms to form a mixture of distorted edge and face-sharing MgSn10 cuboctahedra. There are four shorter (3.28 Å) and six longer (3.32 Å) Mg–Sn bond lengths. Sn is bonded to five equivalent Mg atoms to form a mixture of distorted edge, corner, and face-sharing SnMg5 cuboctahedra.
Materials Data on MgSn2 by Materials Project

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MgSn2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Mg and eight Sn atoms to form distorted MgMg4Sn8 cuboctahedra that share corners with ten SnMg6 cuboctahedra, corners with twelve MgMg4Sn8 cuboctahedra, edges with three equivalent MgMg4Sn8 cuboctahedra, edges with seven SnMg6 cuboctahedra, faces with two equivalent SnMg4Sn8 cuboctahedra, and faces with six MgMg4Sn8 cuboctahedra. There are two shorter (3.34 Å) and two longer (3.39 Å) Mg–Mg bond lengths. There are six shorter (3.25 Å) and two longer (3.40 Å) Mg–Sn bondmore »« less
Materials Data on MgSn2 by Materials Project

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MgSn2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSn2 sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.14–3.26 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg atoms.
Materials Data on MgSn2 by Materials Project

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MgSn2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two MgSn2 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.04–3.29 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent Mg atoms.

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