Materials Data on MgSeO4 by Materials Project

doi:10.17188/1189095

Title: Materials Data on MgSeO4 by Materials Project

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Abstract

MgSeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent MgO6 octahedra. There are two shorter (2.04 Å) and four longer (2.18 Å) Mg–O bond lengths. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.65 Å) and two longer (1.70 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Se6+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-12630

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; MgSeO4; Mg-O-Se

OSTI Identifier:: 1189095

DOI:: https://doi.org/10.17188/1189095

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                    The Materials Project. Materials Data on MgSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189095.

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                    The Materials Project. Materials Data on MgSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189095

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                    The Materials Project. 2020.  
"Materials Data on MgSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189095.  https://www.osti.gov/servlets/purl/1189095. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189095,

  title        = {Materials Data on MgSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSeO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent SeO4 tetrahedra and edges with two equivalent MgO6 octahedra. There are two shorter (2.04 Å) and four longer (2.18 Å) Mg–O bond lengths. Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.65 Å) and two longer (1.70 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one Se6+ atom.},

  doi          = {10.17188/1189095},

  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/10.17188/1189095

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