Materials Data on Te(HO2)2 by Materials Project

doi:10.17188/1278409

Title: Materials Data on Te(HO2)2 by Materials Project

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Abstract

Te(HO2)2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one Te(HO2)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There is four shorter (1.95 Å) and two longer (1.96 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.

Publication Date:: Tue Jul 18 04:00:00 UTC 2017

Other Number(s):: mp-625526

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; H-O-Te; Te(HO2)2; crystal structure

OSTI Identifier:: 1278409

DOI:: https://doi.org/10.17188/1278409

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                    Materials Data on Te(HO2)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1278409.

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                    Materials Data on Te(HO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278409

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                    2017.  
"Materials Data on Te(HO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278409.  https://www.osti.gov/servlets/purl/1278409. Pub date:Tue Jul 18 04:00:00 UTC 2017

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@article{osti_1278409,

  title        = {Materials Data on Te(HO2)2 by Materials Project},

  
  abstractNote = {Te(HO2)2 crystallizes in the monoclinic Pc space group. The structure is two-dimensional and consists of one Te(HO2)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There is four shorter (1.95 Å) and two longer (1.96 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te6+ atoms.},

  doi          = {10.17188/1278409},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 04:00:00 UTC 2017},

  month        = {Tue Jul 18 04:00:00 UTC 2017}

}

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DOI: https://doi.org/10.17188/1278409

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