Materials Data on MgSnO3 by Materials Project

doi:10.17188/1685673

Title: Materials Data on MgSnO3 by Materials Project

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Abstract

MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Mg–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.06 Å) and three longer (2.16 Å) Sn–O bond lengths. O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Sn2 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1176491

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; MgSnO3; Mg-O-Sn

OSTI Identifier:: 1685673

DOI:: https://doi.org/10.17188/1685673

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                    The Materials Project. Materials Data on MgSnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685673.

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                    The Materials Project. Materials Data on MgSnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685673

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                    The Materials Project. 2020.  
"Materials Data on MgSnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685673.  https://www.osti.gov/servlets/purl/1685673. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685673,

  title        = {Materials Data on MgSnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Mg–O bond lengths. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 47–62°. There are three shorter (2.06 Å) and three longer (2.16 Å) Sn–O bond lengths. O2- is bonded to two equivalent Mg2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OMg2Sn2 trigonal pyramids.},

  doi          = {10.17188/1685673},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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