Materials Data on Mg3SbO4 by Materials Project

doi:10.17188/1748735

Title: Materials Data on Mg3SbO4 by Materials Project

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Abstract

Mg3SbO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.30 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.30 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Mg and two equivalent Sb atoms to form OMg4Sb2 octahedra that share corners with six equivalent OMg4Sb2 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.30 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1099252

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; Mg3SbO4; Mg-O-Sb

OSTI Identifier:: 1748735

DOI:: https://doi.org/10.17188/1748735

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                    The Materials Project. Materials Data on Mg3SbO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748735.

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                    The Materials Project. Materials Data on Mg3SbO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748735

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                    The Materials Project. 2020.  
"Materials Data on Mg3SbO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748735.  https://www.osti.gov/servlets/purl/1748735. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748735,

  title        = {Materials Data on Mg3SbO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3SbO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent SbO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.30 Å. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six equivalent SbO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–O bond lengths are 2.30 Å. There are four inequivalent O sites. In the first O site, O is bonded to four equivalent Mg and two equivalent Sb atoms to form OMg4Sb2 octahedra that share corners with six equivalent OMg4Sb2 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.30 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OMg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site, O is bonded to four equivalent Mg and two equivalent Sb atoms to form a mixture of edge and corner-sharing OMg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O site, O is bonded to four equivalent Mg and two equivalent Sb atoms to form a mixture of edge and corner-sharing OMg4Sb2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1748735},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748735

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