Materials Data on TiMnO3 by Materials Project

doi:10.17188/1193867

Title: Materials Data on TiMnO3 by Materials Project

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Abstract

MnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (1.89 Å) and three longer (2.12 Å) Ti–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form distorted MnO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (2.14 Å) and three longer (2.30 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-19082

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; TiMnO3; Mn-O-Ti

OSTI Identifier:: 1193867

DOI:: https://doi.org/10.17188/1193867

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                    The Materials Project. Materials Data on TiMnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193867.

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                    The Materials Project. Materials Data on TiMnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193867

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                    The Materials Project. 2020.  
"Materials Data on TiMnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193867.  https://www.osti.gov/servlets/purl/1193867. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1193867,

  title        = {Materials Data on TiMnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent MnO6 octahedra, edges with three equivalent TiO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (1.89 Å) and three longer (2.12 Å) Ti–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form distorted MnO6 octahedra that share corners with nine equivalent TiO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 43–61°. There are three shorter (2.14 Å) and three longer (2.30 Å) Mn–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ti4+ and two equivalent Mn2+ atoms.},

  doi          = {10.17188/1193867},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193867

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