Materials Data on Tb2Se2O7 by Materials Project

doi:10.17188/1204735

Title: Materials Data on Tb2Se2O7 by Materials Project

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Abstract

Tb2Se2O7 is Zircon-like structured and crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.54 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Se4+ atom.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-30313

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; Tb2Se2O7; O-Se-Tb

OSTI Identifier:: 1204735

DOI:: https://doi.org/10.17188/1204735

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                    The Materials Project. Materials Data on Tb2Se2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204735.

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                    The Materials Project. Materials Data on Tb2Se2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204735

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                    The Materials Project. 2020.  
"Materials Data on Tb2Se2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204735.  https://www.osti.gov/servlets/purl/1204735. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1204735,

  title        = {Materials Data on Tb2Se2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2Se2O7 is Zircon-like structured and crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.27–2.54 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Se4+ atom.},

  doi          = {10.17188/1204735},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204735

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