Materials Data on Yb4Br6O by Materials Project

doi:10.17188/1291675

Title: Materials Data on Yb4Br6O by Materials Project

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Abstract

Yb4OBr6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to one O2- and six Br1- atoms. The Yb–O bond length is 2.33 Å. There are a spread of Yb–Br bond distances ranging from 2.87–3.22 Å. O2- is bonded to four equivalent Yb2+ atoms to form distorted OYb4 tetrahedra that share corners with eight equivalent BrYb4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Yb2+ atoms to form distorted BrYb4 tetrahedra that share corners with four equivalent OYb4 tetrahedra and edges with two equivalent BrYb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-760635

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; Yb4Br6O; Br-O-Yb

OSTI Identifier:: 1291675

DOI:: https://doi.org/10.17188/1291675

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                    The Materials Project. Materials Data on Yb4Br6O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291675.

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                    The Materials Project. Materials Data on Yb4Br6O by Materials Project.  United States.  doi:https://doi.org/10.17188/1291675

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                    The Materials Project. 2020.  
"Materials Data on Yb4Br6O by Materials Project".  United States.  doi:https://doi.org/10.17188/1291675.  https://www.osti.gov/servlets/purl/1291675. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1291675,

  title        = {Materials Data on Yb4Br6O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb4OBr6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to one O2- and six Br1- atoms. The Yb–O bond length is 2.33 Å. There are a spread of Yb–Br bond distances ranging from 2.87–3.22 Å. O2- is bonded to four equivalent Yb2+ atoms to form distorted OYb4 tetrahedra that share corners with eight equivalent BrYb4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Yb2+ atoms. In the second Br1- site, Br1- is bonded to four equivalent Yb2+ atoms to form distorted BrYb4 tetrahedra that share corners with four equivalent OYb4 tetrahedra and edges with two equivalent BrYb4 tetrahedra.},

  doi          = {10.17188/1291675},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1291675

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