Materials Data on Cd(BrO4)2 by Materials Project

doi:10.17188/1676597

Title: Materials Data on Cd(BrO4)2 by Materials Project

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Abstract

Cd(O4Br)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two Cd(O4Br)2 ribbons oriented in the (0, 1, 0) direction. Cd is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Cd–O bond distances ranging from 2.32–2.76 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the second O site, O is bonded in a single-bond geometry to one Cd atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one Br atom. The O–Br bond length is 1.69 Å. In the fifth O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the sixth O site, O is bonded in a distorted water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.68 Å. In the seventh O site, Omore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1197151

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; Cd(BrO4)2; Br-Cd-O

OSTI Identifier:: 1676597

DOI:: https://doi.org/10.17188/1676597

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                    The Materials Project. Materials Data on Cd(BrO4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676597.

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                    The Materials Project. Materials Data on Cd(BrO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676597

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                    The Materials Project. 2019.  
"Materials Data on Cd(BrO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676597.  https://www.osti.gov/servlets/purl/1676597. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1676597,

  title        = {Materials Data on Cd(BrO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(O4Br)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two Cd(O4Br)2 ribbons oriented in the (0, 1, 0) direction. Cd is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Cd–O bond distances ranging from 2.32–2.76 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the second O site, O is bonded in a single-bond geometry to one Cd atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one Br atom. The O–Br bond length is 1.69 Å. In the fifth O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the sixth O site, O is bonded in a distorted water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.68 Å. In the seventh O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.67 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Cd and one Br atom. The O–Br bond length is 1.72 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          = {10.17188/1676597},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676597

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