Materials Data on Y(BrO6)3 by Materials Project

doi:10.17188/1722148

Title: Materials Data on Y(BrO6)3 by Materials Project

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Abstract

YO11Br2(O2)2BrO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hypobromous acid;dihydrate molecules; four oxygen molecules; and one YO11Br2 ribbon oriented in the (0, 1, 0) direction. In the YO11Br2 ribbon, Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.11–2.61 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the second O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the third O site, O is bonded in an L-shaped geometry to one Y and one O atom. The O–O bond length is 1.30 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a water-like geometry to one Y and one O atom. The O–O bond length is 1.33 Å. In the sixth O site, O is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1217754

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; Y(BrO6)3; Br-O-Y

OSTI Identifier:: 1722148

DOI:: https://doi.org/10.17188/1722148

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                    The Materials Project. Materials Data on Y(BrO6)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722148.

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                    The Materials Project. Materials Data on Y(BrO6)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722148

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                    The Materials Project. 2020.  
"Materials Data on Y(BrO6)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722148.  https://www.osti.gov/servlets/purl/1722148. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1722148,

  title        = {Materials Data on Y(BrO6)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YO11Br2(O2)2BrO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hypobromous acid;dihydrate molecules; four oxygen molecules; and one YO11Br2 ribbon oriented in the (0, 1, 0) direction. In the YO11Br2 ribbon, Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.11–2.61 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the second O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the third O site, O is bonded in an L-shaped geometry to one Y and one O atom. The O–O bond length is 1.30 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a water-like geometry to one Y and one O atom. The O–O bond length is 1.33 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to one Y and one O atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Y and one Br atom. The O–Br bond length is 1.80 Å. In the ninth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Y and one Br atom. The O–Br bond length is 1.80 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms.},

  doi          = {10.17188/1722148},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1722148

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