Materials Data on Mg2Sb by Materials Project

doi:10.17188/1667246

Title: Materials Data on Mg2Sb by Materials Project

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Abstract

Mg2Sb 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 Mg and six equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.31 Å. There are two shorter (3.15 Å) and four longer (3.30 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Sb atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.12 Å) and two longer (3.25 Å) Mg–Sb bond lengths. Sb is bonded in a 12-coordinate geometry to ten Mg atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1094554

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; Mg2Sb; Mg-Sb

OSTI Identifier:: 1667246

DOI:: https://doi.org/10.17188/1667246

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                    The Materials Project. Materials Data on Mg2Sb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667246.

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                    The Materials Project. Materials Data on Mg2Sb by Materials Project.  United States.  doi:https://doi.org/10.17188/1667246

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                    The Materials Project. 2020.  
"Materials Data on Mg2Sb by Materials Project".  United States.  doi:https://doi.org/10.17188/1667246.  https://www.osti.gov/servlets/purl/1667246. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1667246,

  title        = {Materials Data on Mg2Sb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Sb 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 Mg and six equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.07–3.31 Å. There are two shorter (3.15 Å) and four longer (3.30 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four equivalent Sb atoms. There are two shorter (3.31 Å) and four longer (3.32 Å) Mg–Mg bond lengths. There are two shorter (3.12 Å) and two longer (3.25 Å) Mg–Sb bond lengths. Sb is bonded in a 12-coordinate geometry to ten Mg atoms.},

  doi          = {10.17188/1667246},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1667246

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Materials Data on Mg2Sb by Materials Project

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Mg2Sb crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to five equivalent Sb atoms. There are a spread of Mg–Sb bond distances ranging from 3.12–3.35 Å. Sb is bonded in a distorted q6 geometry to ten equivalent Mg atoms.
Materials Data on Mg2Sb by Materials Project

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Mg2Sb crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three Sb atoms. There are one shorter (3.04 Å) and two longer (3.15 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four Sb atoms. There are two shorter (3.06 Å) and two longer (3.17 Å) Mg–Sb bond lengths. In the third Mg site, Mg is bonded in a 12-coordinate geometry to four Sb atoms. There are a spread of Mg–Sbmore »« less
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Mg2Sb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 5-coordinate geometry to five equivalent Sb atoms. There are three shorter (3.05 Å) and two longer (3.28 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four equivalent Sb atoms. There are two shorter (3.12 Å) and two longer (3.19 Å) Mg–Sb bond lengths. Sb is bonded in a 9-coordinate geometry to nine Mg atoms.
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Mg2Sb is Titanium Disilicide structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to five equivalent Mg and five equivalent Sb atoms. There are a spread of Mg–Mg bond distances ranging from 3.14–3.24 Å. There are a spread of Mg–Sb bond distances ranging from 3.10–3.37 Å. Sb is bonded in a distorted q6 geometry to ten equivalent Mg atoms.
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Mg2Sb 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 six equivalent MgMg12 cuboctahedra, corners with twelve equivalent SbMg6 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent SbMg6 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are six shorter (3.19 Å) and six longer (3.31 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to nine Mg and three equivalent Sb atoms to form distorted MgMg9Sb3 cuboctahedramore »« less

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