Materials Data on Eu2MgH6 by Materials Project

doi:10.17188/1280427

Title: Materials Data on Eu2MgH6 by Materials Project

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Abstract

Eu2MgH6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six H1- atoms to form MgH6 octahedra that share corners with six equivalent EuH12 cuboctahedra and faces with six equivalent EuH12 cuboctahedra. There are four shorter (2.02 Å) and two longer (2.03 Å) Mg–H bond lengths. Eu2+ is bonded to twelve H1- atoms to form EuH12 cuboctahedra that share corners with six equivalent EuH12 cuboctahedra, corners with three equivalent MgH6 octahedra, faces with eight equivalent EuH12 cuboctahedra, and faces with three equivalent MgH6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Eu–H bond distances ranging from 2.58–2.86 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 1-coordinate geometry to one Mg2+ and four equivalent Eu2+ atoms. In the second H1- site, H1- is bonded in a 1-coordinate geometry to one Mg2+ and four equivalent Eu2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-644292

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; Eu2MgH6; Eu-H-Mg

OSTI Identifier:: 1280427

DOI:: https://doi.org/10.17188/1280427

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                    The Materials Project. Materials Data on Eu2MgH6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280427.

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                    The Materials Project. Materials Data on Eu2MgH6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280427

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                    The Materials Project. 2020.  
"Materials Data on Eu2MgH6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280427.  https://www.osti.gov/servlets/purl/1280427. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1280427,

  title        = {Materials Data on Eu2MgH6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2MgH6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six H1- atoms to form MgH6 octahedra that share corners with six equivalent EuH12 cuboctahedra and faces with six equivalent EuH12 cuboctahedra. There are four shorter (2.02 Å) and two longer (2.03 Å) Mg–H bond lengths. Eu2+ is bonded to twelve H1- atoms to form EuH12 cuboctahedra that share corners with six equivalent EuH12 cuboctahedra, corners with three equivalent MgH6 octahedra, faces with eight equivalent EuH12 cuboctahedra, and faces with three equivalent MgH6 octahedra. The corner-sharing octahedra tilt angles range from 24–25°. There are a spread of Eu–H bond distances ranging from 2.58–2.86 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a 1-coordinate geometry to one Mg2+ and four equivalent Eu2+ atoms. In the second H1- site, H1- is bonded in a 1-coordinate geometry to one Mg2+ and four equivalent Eu2+ atoms.},

  doi          = {10.17188/1280427},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280427

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