Materials Data on Mg2Sn by Materials Project

doi:10.17188/1732878

Title: Materials Data on Mg2Sn by Materials Project

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Abstract

Mg2Sn is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Sn sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sn atoms to form a mixture of distorted face and corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1094192

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; Mg2Sn; Mg-Sn

OSTI Identifier:: 1732878

DOI:: https://doi.org/10.17188/1732878

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                    The Materials Project. Materials Data on Mg2Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732878.

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                    The Materials Project. Materials Data on Mg2Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1732878

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                    The Materials Project. 2020.  
"Materials Data on Mg2Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1732878.  https://www.osti.gov/servlets/purl/1732878. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1732878,

  title        = {Materials Data on Mg2Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Sn is Molybdenite structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Mg2Sn sheets oriented in the (0, 0, 1) direction. Mg is bonded to three equivalent Sn atoms to form a mixture of distorted face and corner-sharing MgSn3 cuboctahedra. All Mg–Sn bond lengths are 3.15 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Mg atoms.},

  doi          = {10.17188/1732878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732878

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Materials Data on Mg2Sn by Materials Project

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Mg2Sn is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded to four equivalent Sn atoms to form a mixture of corner and edge-sharing MgSn4 tetrahedra. All Mg–Sn bond lengths are 2.95 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Materials Data on Mg2Sn by Materials Project

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Mg2Sn is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Sn atoms to form a mixture of corner, edge, and face-sharing MgMg6Sn6 cuboctahedra. All Mg–Mg bond lengths are 2.95 Å. All Mg–Sn bond lengths are 3.46 Å. Sn is bonded in a 12-coordinate geometry to twelve equivalent Mg atoms.
Materials Data on Mg2Sn by Materials Project

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Mg2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to eight Mg and six equivalent Sn atoms. There are two shorter (3.14 Å) and six longer (3.32 Å) Mg–Mg bond lengths. All Mg–Sn bond lengths are 3.32 Å. In the second Mg site, Mg is bonded to six equivalent Mg and five equivalent Sn atoms to form a mixture of corner and face-sharing MgMg6Sn5 trigonal bipyramids. There are three shorter (2.92 Å) and two longer (3.14 Å) Mg–Sn bondmore »« less
Materials Data on Mg2Sn by Materials Project

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Mg2Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent SnMg6 cuboctahedra, corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent SnMg6 cuboctahedra, and faces with six equivalent MgMg12 cuboctahedra. There are six shorter (3.17 Å) and six longer (3.31 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Sn atoms to form distorted MgMg3Sn3more »« less
Materials Data on Mg2Sn by Materials Project

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Mg2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Sn atoms. There are two shorter (3.19 Å) and four longer (3.22 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Sn atoms. All Mg–Sn bond lengths are 3.13 Å. Sn is bonded in a 10-coordinate geometry to ten Mg atoms.

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