Materials Data on Mg7Mn by Materials Project

doi:10.17188/1652128

Title: Materials Data on Mg7Mn by Materials Project

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Abstract

Mg7Mn 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 ten Mg and two equivalent Mn atoms to form MgMg10Mn2 cuboctahedra that share corners with four equivalent MnMg12 cuboctahedra, corners with fourteen equivalent MgMg10Mn2 cuboctahedra, edges with two equivalent MnMg12 cuboctahedra, edges with sixteen MgMg10Mn2 cuboctahedra, faces with two equivalent MnMg12 cuboctahedra, and faces with eighteen MgMg10Mn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.10 Å. Both Mg–Mn bond lengths are 3.08 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Mn atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with eighteen MgMg10Mn2 cuboctahedra, edges with four equivalent MnMg12 cuboctahedra, edges with fourteen MgMg10Mn2 cuboctahedra, faces with two equivalent MnMg12 cuboctahedra, and faces with eighteen MgMg10Mn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.89–3.27 Å. Both Mg–Mn bond lengths are 2.97 Å. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg10Mn2 cuboctahedra, edges with eighteen MgMg10Mn2 cuboctahedra, faces with six equivalent MnMg12 cuboctahedra, and facesmore »« less

Authors:: The Materials Project

Publication Date:: 2017-03-31

Other Number(s):: mp-1016282

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; Mg7Mn; Mg-Mn

OSTI Identifier:: 1652128

DOI:: https://doi.org/10.17188/1652128

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                    The Materials Project. Materials Data on Mg7Mn by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1652128.

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                    The Materials Project. Materials Data on Mg7Mn by Materials Project.  United States.  doi:https://doi.org/10.17188/1652128

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                    The Materials Project. 2017.  
"Materials Data on Mg7Mn by Materials Project".  United States.  doi:https://doi.org/10.17188/1652128.  https://www.osti.gov/servlets/purl/1652128. Pub date:Fri Mar 31 00:00:00 EDT 2017

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@article{osti_1652128,

  title        = {Materials Data on Mg7Mn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg7Mn 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 ten Mg and two equivalent Mn atoms to form MgMg10Mn2 cuboctahedra that share corners with four equivalent MnMg12 cuboctahedra, corners with fourteen equivalent MgMg10Mn2 cuboctahedra, edges with two equivalent MnMg12 cuboctahedra, edges with sixteen MgMg10Mn2 cuboctahedra, faces with two equivalent MnMg12 cuboctahedra, and faces with eighteen MgMg10Mn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.10 Å. Both Mg–Mn bond lengths are 3.08 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Mn atoms to form distorted MgMg10Mn2 cuboctahedra that share corners with eighteen MgMg10Mn2 cuboctahedra, edges with four equivalent MnMg12 cuboctahedra, edges with fourteen MgMg10Mn2 cuboctahedra, faces with two equivalent MnMg12 cuboctahedra, and faces with eighteen MgMg10Mn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.89–3.27 Å. Both Mg–Mn bond lengths are 2.97 Å. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg10Mn2 cuboctahedra, edges with eighteen MgMg10Mn2 cuboctahedra, faces with six equivalent MnMg12 cuboctahedra, and faces with fourteen MgMg10Mn2 cuboctahedra. Mn is bonded to twelve Mg atoms to form MnMg12 cuboctahedra that share corners with six equivalent MnMg12 cuboctahedra, corners with twelve equivalent MgMg10Mn2 cuboctahedra, edges with eighteen MgMg10Mn2 cuboctahedra, faces with two equivalent MnMg12 cuboctahedra, and faces with eighteen MgMg10Mn2 cuboctahedra.},

  doi          = {10.17188/1652128},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {3}

}

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DOI: https://doi.org/10.17188/1652128

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