Materials Data on Er2TeO6 by Materials Project

doi:10.17188/1289666

Title: Materials Data on Er2TeO6 by Materials Project

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Abstract

Er2TeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with four equivalent ErO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one ErO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are a spread of Er–O bond distances ranging from 2.23–2.28 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent ErO6 octahedra and edges with two equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Er3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Te6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-755001

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; Er2TeO6; Er-O-Te

OSTI Identifier:: 1289666

DOI:: https://doi.org/10.17188/1289666

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                    The Materials Project. Materials Data on Er2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289666.

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                    The Materials Project. Materials Data on Er2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289666

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                    The Materials Project. 2020.  
"Materials Data on Er2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289666.  https://www.osti.gov/servlets/purl/1289666. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1289666,

  title        = {Materials Data on Er2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er2TeO6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with four equivalent ErO6 octahedra, corners with four equivalent TeO6 octahedra, an edgeedge with one ErO6 octahedra, and an edgeedge with one TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are a spread of Er–O bond distances ranging from 2.23–2.28 Å. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with eight equivalent ErO6 octahedra and edges with two equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. All Te–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Er3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Te6+ atom.},

  doi          = {10.17188/1289666},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1289666

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