Materials Data on Lu2TeO6 by Materials Project

doi:10.17188/1300659

Title: Materials Data on Lu2TeO6 by Materials Project

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Abstract

Lu2TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.61 Å. In the second Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.28–2.36 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.15–2.75 Å. Te6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Lu3+ and one Te6+ atom to form OLu3Te tetrahedra that share corners with six OLu3Te tetrahedra and an edgeedge with one OLu4 tetrahedra. In the third O2- site, O2- is bonded to fourmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-771566

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; Lu2TeO6; Lu-O-Te

OSTI Identifier:: 1300659

DOI:: https://doi.org/10.17188/1300659

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                    The Materials Project. Materials Data on Lu2TeO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300659.

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                    The Materials Project. Materials Data on Lu2TeO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300659

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                    The Materials Project. 2020.  
"Materials Data on Lu2TeO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300659.  https://www.osti.gov/servlets/purl/1300659. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1300659,

  title        = {Materials Data on Lu2TeO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu2TeO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.61 Å. In the second Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.28–2.36 Å. In the third Lu3+ site, Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.15–2.75 Å. Te6+ is bonded in a distorted trigonal bipyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu3+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Lu3+ and one Te6+ atom to form OLu3Te tetrahedra that share corners with six OLu3Te tetrahedra and an edgeedge with one OLu4 tetrahedra. In the third O2- site, O2- is bonded to four Lu3+ atoms to form OLu4 tetrahedra that share corners with six OLu3Te tetrahedra and edges with four OLu4 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Lu3+ and one Te6+ atom.},

  doi          = {10.17188/1300659},

  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/10.17188/1300659

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