Materials Data on ZnTe2O5 by Materials Project

doi:10.17188/1306430

Title: Materials Data on ZnTe2O5 by Materials Project

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Abstract

ZnTe2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share edges with two equivalent ZnO6 octahedra and an edgeedge with one TeO5 square pyramid. There are a spread of Zn–O bond distances ranging from 2.08–2.22 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share edges with two equivalent ZnO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.27 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.53 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the thirdmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-779552

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; ZnTe2O5; O-Te-Zn

OSTI Identifier:: 1306430

DOI:: https://doi.org/10.17188/1306430

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                    The Materials Project. Materials Data on ZnTe2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1306430.

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                    The Materials Project. Materials Data on ZnTe2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306430

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                    The Materials Project. 2020.  
"Materials Data on ZnTe2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306430.  https://www.osti.gov/servlets/purl/1306430. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1306430,

  title        = {Materials Data on ZnTe2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnTe2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share edges with two equivalent ZnO6 octahedra and an edgeedge with one TeO5 square pyramid. There are a spread of Zn–O bond distances ranging from 2.08–2.22 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to five O2- atoms to form distorted TeO5 square pyramids that share edges with two equivalent ZnO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.27 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.53 Å. In the third Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Te–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Zn2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Te4+ atoms.},

  doi          = {10.17188/1306430},

  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/10.17188/1306430

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