Materials Data on TaN3O8 by Materials Project

doi:10.17188/1741829

Title: Materials Data on TaN3O8 by Materials Project

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Abstract

(TaO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two TaO8 clusters. In each TaO8 cluster, Ta5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. All Ta–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1208577

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; TaN3O8; N-O-Ta

OSTI Identifier:: 1741829

DOI:: https://doi.org/10.17188/1741829

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                    The Materials Project. Materials Data on TaN3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741829.

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                    The Materials Project. Materials Data on TaN3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741829

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                    The Materials Project. 2020.  
"Materials Data on TaN3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741829.  https://www.osti.gov/servlets/purl/1741829. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1741829,

  title        = {Materials Data on TaN3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(TaO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two TaO8 clusters. In each TaO8 cluster, Ta5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. All Ta–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom.},

  doi          = {10.17188/1741829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741829

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