Materials Data on Mg3Cr by Materials Project

doi:10.17188/1747916

Title: Materials Data on Mg3Cr by Materials Project

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Abstract

Mg3Cr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal planar geometry to four equivalent Mg and three equivalent Cr atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.43 Å. There are one shorter (2.81 Å) and two longer (2.83 Å) Mg–Cr bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and four equivalent Cr atoms. There are one shorter (2.96 Å) and one longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Cr bond distances ranging from 2.86–3.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to eight Mg and four equivalent Cr atoms. Both Mg–Mg bond lengths are 2.97 Å. There are a spread of Mg–Cr bond distances ranging from 2.97–3.29 Å. Cr is bonded in a 11-coordinate geometry to eleven Mg atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1180365

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; Mg3Cr; Cr-Mg

OSTI Identifier:: 1747916

DOI:: https://doi.org/10.17188/1747916

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                    The Materials Project. Materials Data on Mg3Cr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747916.

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                    The Materials Project. Materials Data on Mg3Cr by Materials Project.  United States.  doi:https://doi.org/10.17188/1747916

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                    The Materials Project. 2020.  
"Materials Data on Mg3Cr by Materials Project".  United States.  doi:https://doi.org/10.17188/1747916.  https://www.osti.gov/servlets/purl/1747916. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1747916,

  title        = {Materials Data on Mg3Cr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Cr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted trigonal planar geometry to four equivalent Mg and three equivalent Cr atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.43 Å. There are one shorter (2.81 Å) and two longer (2.83 Å) Mg–Cr bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Mg and four equivalent Cr atoms. There are one shorter (2.96 Å) and one longer (3.22 Å) Mg–Mg bond lengths. There are a spread of Mg–Cr bond distances ranging from 2.86–3.25 Å. In the third Mg site, Mg is bonded in a 3-coordinate geometry to eight Mg and four equivalent Cr atoms. Both Mg–Mg bond lengths are 2.97 Å. There are a spread of Mg–Cr bond distances ranging from 2.97–3.29 Å. Cr is bonded in a 11-coordinate geometry to eleven Mg atoms.},

  doi          = {10.17188/1747916},

  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/10.17188/1747916

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