Materials Data on Na2Te(BrO)6 by Materials Project

doi:10.17188/1745808

Title: Materials Data on Na2Te(BrO)6 by Materials Project

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Abstract

(NaBrO3)2Te(Br)4 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of eight hydrobromic acid molecules; two tellurium molecules; and two NaBrO3 ribbons oriented in the (0, 0, 1) direction. In each NaBrO3 ribbon, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted bent 150 degrees geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (3.01 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.30 Å) and two longer (2.86 Å) Na–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Br1+ atom. The O–Br bond length is 1.79 Å. Br1+ is bonded in a single-bond geometry to one O2- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1221809

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; Na2Te(BrO)6; Br-Na-O-Te

OSTI Identifier:: 1745808

DOI:: https://doi.org/10.17188/1745808

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                    The Materials Project. Materials Data on Na2Te(BrO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745808.

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                    The Materials Project. Materials Data on Na2Te(BrO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745808

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                    The Materials Project. 2020.  
"Materials Data on Na2Te(BrO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745808.  https://www.osti.gov/servlets/purl/1745808. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1745808,

  title        = {Materials Data on Na2Te(BrO)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NaBrO3)2Te(Br)4 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of eight hydrobromic acid molecules; two tellurium molecules; and two NaBrO3 ribbons oriented in the (0, 0, 1) direction. In each NaBrO3 ribbon, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted bent 150 degrees geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (3.01 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.30 Å) and two longer (2.86 Å) Na–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Br1+ atom. The O–Br bond length is 1.79 Å. Br1+ is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1745808},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1745808

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