Materials Data on Tm2Ti2O7 by Materials Project

doi:10.17188/1207522

Title: Materials Data on Tm2Ti2O7 by Materials Project

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Abstract

Tm2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.18 Å) and six longer (2.46 Å) Tm–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form corner-sharing OTm4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-38418

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; Tm2Ti2O7; O-Ti-Tm

OSTI Identifier:: 1207522

DOI:: https://doi.org/10.17188/1207522

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                    The Materials Project. Materials Data on Tm2Ti2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207522.

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                    The Materials Project. Materials Data on Tm2Ti2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207522

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                    The Materials Project. 2020.  
"Materials Data on Tm2Ti2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207522.  https://www.osti.gov/servlets/purl/1207522. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1207522,

  title        = {Materials Data on Tm2Ti2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.18 Å) and six longer (2.46 Å) Tm–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form corner-sharing OTm4 tetrahedra.},

  doi          = {10.17188/1207522},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207522

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