Materials Data on TmTlO3 by Materials Project

doi:10.17188/1682164

Title: Materials Data on TmTlO3 by Materials Project

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Abstract

TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Tm–O bond distances ranging from 2.21–2.31 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.20–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Tl3+ atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Tl3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1101279

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; TmTlO3; O-Tl-Tm

OSTI Identifier:: 1682164

DOI:: https://doi.org/10.17188/1682164

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                    The Materials Project. Materials Data on TmTlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682164.

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                    The Materials Project. Materials Data on TmTlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682164

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                    The Materials Project. 2020.  
"Materials Data on TmTlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682164.  https://www.osti.gov/servlets/purl/1682164. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682164,

  title        = {Materials Data on TmTlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Tm–O bond distances ranging from 2.21–2.31 Å. Tl3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Tl–O bond distances ranging from 2.20–2.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Tl3+ atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tm3+ and one Tl3+ atom.},

  doi          = {10.17188/1682164},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1682164

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