Materials Data on TeC2(NO2)4 by Materials Project

doi:10.17188/1707039

Title: Materials Data on TeC2(NO2)4 by Materials Project

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Abstract

(N2CO)2TeO6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight imino-oxaziridine molecules and four TeO6 clusters. In each TeO6 cluster, Te4+ is bonded in a water-like geometry to four O2- atoms. There are two shorter (1.82 Å) and two longer (3.00 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one O2- atom. The O–O bond length is 1.23 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1194055

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; TeC2(NO2)4; C-N-O-Te

OSTI Identifier:: 1707039

DOI:: https://doi.org/10.17188/1707039

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                    The Materials Project. Materials Data on TeC2(NO2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707039.

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                    The Materials Project. Materials Data on TeC2(NO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707039

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                    The Materials Project. 2020.  
"Materials Data on TeC2(NO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707039.  https://www.osti.gov/servlets/purl/1707039. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1707039,

  title        = {Materials Data on TeC2(NO2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(N2CO)2TeO6 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight imino-oxaziridine molecules and four TeO6 clusters. In each TeO6 cluster, Te4+ is bonded in a water-like geometry to four O2- atoms. There are two shorter (1.82 Å) and two longer (3.00 Å) Te–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one O2- atom. The O–O bond length is 1.23 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1707039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707039

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