Materials Data on TeH14C2(NO2)4 by Materials Project

doi:10.17188/1291128

Title: Materials Data on TeH14C2(NO2)4 by Materials Project

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Abstract

(CO(NH2)2)2Te(OH)6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight urea molecules and four Te(OH)6 clusters. In each Te(OH)6 cluster, there are three 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 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.94 Å) and two longer (1.98 Å) Te–O bond length. There are three 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 bent 120 degrees geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-758675

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; C-H-N-O-Te; TeH14C2(NO2)4; crystal structure

OSTI Identifier:: 1291128

DOI:: https://doi.org/10.17188/1291128

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                    Materials Data on TeH14C2(NO2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291128.

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                    Materials Data on TeH14C2(NO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291128

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                    2020.  
"Materials Data on TeH14C2(NO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291128.  https://www.osti.gov/servlets/purl/1291128. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1291128,

  title        = {Materials Data on TeH14C2(NO2)4 by Materials Project},

  
  abstractNote = {(CO(NH2)2)2Te(OH)6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight urea molecules and four Te(OH)6 clusters. In each Te(OH)6 cluster, there are three 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 1.00 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. Te6+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.94 Å) and two longer (1.98 Å) Te–O bond length. There are three 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 bent 120 degrees geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom.},

  doi          = {10.17188/1291128},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1291128

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