Materials Data on Mg14SnC by Materials Project

doi:10.17188/1672083

Title: Materials Data on Mg14SnC by Materials Project

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Abstract

Mg14SnC crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Sn atoms. There are two shorter (3.11 Å) and four longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Sn bond lengths are 3.13 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Mg atoms. There are four shorter (2.96 Å) and two longer (3.05 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Sn, and one C atom. There are a spread of Mg–Mg bond distances ranging from 3.05–3.20 Å. The Mg–Sn bond length is 3.22 Å. The Mg–C bond length is 2.91 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with three equivalent SnMg12 cuboctahedra. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra and faces with six equivalent MgMg12 cuboctahedra.more »« less

Authors:: The Materials Project

Publication Date:: 2017-05-12

Other Number(s):: mp-1026654

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; Mg14SnC; C-Mg-Sn

OSTI Identifier:: 1672083

DOI:: https://doi.org/10.17188/1672083

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                    The Materials Project. Materials Data on Mg14SnC by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1672083.

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                    The Materials Project. Materials Data on Mg14SnC by Materials Project.  United States.  doi:https://doi.org/10.17188/1672083

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                    The Materials Project. 2017.  
"Materials Data on Mg14SnC by Materials Project".  United States.  doi:https://doi.org/10.17188/1672083.  https://www.osti.gov/servlets/purl/1672083. Pub date:Fri May 12 00:00:00 EDT 2017

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@article{osti_1672083,

  title        = {Materials Data on Mg14SnC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg14SnC crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted linear geometry to six Mg and two equivalent Sn atoms. There are two shorter (3.11 Å) and four longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Sn bond lengths are 3.13 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to six Mg atoms. There are four shorter (2.96 Å) and two longer (3.05 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg, one Sn, and one C atom. There are a spread of Mg–Mg bond distances ranging from 3.05–3.20 Å. The Mg–Sn bond length is 3.22 Å. The Mg–C bond length is 2.91 Å. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent MgMg12 cuboctahedra, faces with two equivalent MgMg12 cuboctahedra, and faces with three equivalent SnMg12 cuboctahedra. Sn is bonded to twelve Mg atoms to form SnMg12 cuboctahedra that share corners with six equivalent SnMg12 cuboctahedra and faces with six equivalent MgMg12 cuboctahedra. C is bonded in a 6-coordinate geometry to six equivalent Mg atoms.},

  doi          = {10.17188/1672083},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1672083

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