Materials Data on Cd(BrO2)2 by Materials Project

doi:10.17188/1758446

Title: Materials Data on Cd(BrO2)2 by Materials Project

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Abstract

Cd(O2Br)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cd is bonded in a distorted linear geometry to two equivalent O and four equivalent Br atoms. Both Cd–O bond lengths are 2.16 Å. All Cd–Br bond lengths are 2.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent O and one Br atom. Both O–O bond lengths are 1.94 Å. The O–Br bond length is 1.97 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Cd, two equivalent O, and one Br atom. The O–Br bond length is 2.13 Å. Br is bonded in a 2-coordinate geometry to two equivalent Cd and two O atoms.

Publication Date:: 2020-09-03

Other Number(s):: mp-1104364

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Br-Cd-O; Cd(BrO2)2; crystal structure

OSTI Identifier:: 1758446

DOI:: https://doi.org/10.17188/1758446

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                    Materials Data on Cd(BrO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758446.

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                    Materials Data on Cd(BrO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758446

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                    2020.  
"Materials Data on Cd(BrO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758446.  https://www.osti.gov/servlets/purl/1758446. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758446,

  title        = {Materials Data on Cd(BrO2)2 by Materials Project},

  
  abstractNote = {Cd(O2Br)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cd is bonded in a distorted linear geometry to two equivalent O and four equivalent Br atoms. Both Cd–O bond lengths are 2.16 Å. All Cd–Br bond lengths are 2.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent O and one Br atom. Both O–O bond lengths are 1.94 Å. The O–Br bond length is 1.97 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Cd, two equivalent O, and one Br atom. The O–Br bond length is 2.13 Å. Br is bonded in a 2-coordinate geometry to two equivalent Cd and two O atoms.},

  doi          = {10.17188/1758446},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758446

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