Materials Data on Yb2MgSe4 by Materials Project

doi:10.17188/1191394

Title: Materials Data on Yb2MgSe4 by Materials Project

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Abstract

MgYb2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–Se bond lengths are 2.59 Å. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent YbSe6 octahedra. All Yb–Se bond lengths are 2.91 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Yb3+ atoms.

Publication Date:: 2017-05-11

Other Number(s):: mp-15804

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mg-Se-Yb; Yb2MgSe4; crystal structure

OSTI Identifier:: 1191394

DOI:: https://doi.org/10.17188/1191394

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                    Materials Data on Yb2MgSe4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1191394.

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                    Materials Data on Yb2MgSe4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191394

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                    2017.  
"Materials Data on Yb2MgSe4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191394.  https://www.osti.gov/servlets/purl/1191394. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1191394,

  title        = {Materials Data on Yb2MgSe4 by Materials Project},

  
  abstractNote = {MgYb2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent YbSe6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Mg–Se bond lengths are 2.59 Å. Yb3+ is bonded to six equivalent Se2- atoms to form YbSe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent YbSe6 octahedra. All Yb–Se bond lengths are 2.91 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Yb3+ atoms.},

  doi          = {10.17188/1191394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1191394

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Materials Data on Yb2MgSe4 by Materials Project

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MgYb2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five Se2- atoms to form MgSe5 square pyramids that share corners with four YbSe6 octahedra, edges with four YbSe6 octahedra, and edges with four equivalent MgSe5 square pyramids. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Mg–Se bond distances ranging from 2.69–2.90 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with three equivalent YbSe6 octahedra, corners with two equivalent MgSe5 squaremore »« less
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MgYb2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Mg–Se bond distances ranging from 2.52–2.63 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six Se2- atoms to form YbSe6 octahedra that share corners with two equivalent YbSe7 pentagonal bipyramids, edges with two equivalent YbSe6 octahedra, and edges with four equivalent YbSe7 pentagonal bipyramids. There are a spread of Yb–Se bond distances ranging from 2.91–3.06 Å. In the second Yb3+ site, Yb3+ ismore »« less
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