Materials Data on Tm2MgTiO6 by Materials Project

doi:10.17188/1733189

Title: Materials Data on Tm2MgTiO6 by Materials Project

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Abstract

MgTm2TiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of Mg–O bond distances ranging from 2.07–2.11 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.83 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of Ti–O bond distances ranging from 1.96–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Tm3+, and one Ti4+ atom to form distorted corner-sharing OTm2MgTi trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1207960

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; Tm2MgTiO6; Mg-O-Ti-Tm

OSTI Identifier:: 1733189

DOI:: https://doi.org/10.17188/1733189

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                    The Materials Project. Materials Data on Tm2MgTiO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733189.

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                    The Materials Project. Materials Data on Tm2MgTiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733189

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                    The Materials Project. 2020.  
"Materials Data on Tm2MgTiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733189.  https://www.osti.gov/servlets/purl/1733189. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1733189,

  title        = {Materials Data on Tm2MgTiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgTm2TiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of Mg–O bond distances ranging from 2.07–2.11 Å. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.19–2.83 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 36–41°. There are a spread of Ti–O bond distances ranging from 1.96–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Mg2+, two equivalent Tm3+, and one Ti4+ atom to form distorted corner-sharing OTm2MgTi trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+, three equivalent Tm3+, and one Ti4+ atom.},

  doi          = {10.17188/1733189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733189

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