Materials Data on Mg3In by Materials Project

doi:10.17188/1281840

Title: Materials Data on Mg3In by Materials Project

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Abstract

Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.07–3.47 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to nine Mg and one In atom. The In–In bond length is 2.92 Å. In the second In site, In is bonded in a 7-coordinate geometry to six Mg and one In atom.

Authors:: The Materials Project

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

Other Number(s):: mp-672314

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; Mg3In; In-Mg

OSTI Identifier:: 1281840

DOI:: https://doi.org/10.17188/1281840

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281840.

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1281840

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                    The Materials Project. 2020.  
"Materials Data on Mg3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1281840.  https://www.osti.gov/servlets/purl/1281840. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281840,

  title        = {Materials Data on Mg3In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and two In atoms. Both Mg–Mg bond lengths are 3.10 Å. There are one shorter (2.99 Å) and one longer (3.08 Å) Mg–In bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to six Mg and three In atoms. There are two shorter (3.18 Å) and two longer (3.19 Å) Mg–Mg bond lengths. There are a spread of Mg–In bond distances ranging from 3.07–3.47 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to nine Mg and one In atom. The In–In bond length is 2.92 Å. In the second In site, In is bonded in a 7-coordinate geometry to six Mg and one In atom.},

  doi          = {10.17188/1281840},

  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/10.17188/1281840

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Materials Data on Mg3In by Materials Project

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