Materials Data on HoMgSe3 by Materials Project

doi:10.17188/1681322

Title: Materials Data on HoMgSe3 by Materials Project

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Abstract

MgHoSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form MgSe6 octahedra that share corners with eight equivalent HoSe4 tetrahedra and edges with three equivalent MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.67–2.96 Å. Ho3+ is bonded to four Se+1.67- atoms to form HoSe4 tetrahedra that share corners with eight equivalent MgSe6 octahedra and an edgeedge with one HoSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–76°. There are three shorter (2.71 Å) and one longer (2.73 Å) Ho–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Ho3+ atom. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Ho3+ atoms to form edge-sharing SeHo2Mg2 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1232140

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; HoMgSe3; Ho-Mg-Se

OSTI Identifier:: 1681322

DOI:: https://doi.org/10.17188/1681322

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                    The Materials Project. Materials Data on HoMgSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1681322.

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                    The Materials Project. Materials Data on HoMgSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1681322

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                    The Materials Project. 2020.  
"Materials Data on HoMgSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1681322.  https://www.osti.gov/servlets/purl/1681322. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1681322,

  title        = {Materials Data on HoMgSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgHoSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg2+ is bonded to six Se+1.67- atoms to form MgSe6 octahedra that share corners with eight equivalent HoSe4 tetrahedra and edges with three equivalent MgSe6 octahedra. There are a spread of Mg–Se bond distances ranging from 2.67–2.96 Å. Ho3+ is bonded to four Se+1.67- atoms to form HoSe4 tetrahedra that share corners with eight equivalent MgSe6 octahedra and an edgeedge with one HoSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 55–76°. There are three shorter (2.71 Å) and one longer (2.73 Å) Ho–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Ho3+ atom. In the second Se+1.67- site, Se+1.67- is bonded to two equivalent Mg2+ and two equivalent Ho3+ atoms to form edge-sharing SeHo2Mg2 tetrahedra.},

  doi          = {10.17188/1681322},

  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/10.17188/1681322

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