Materials Data on PrBrO by Materials Project

doi:10.17188/1290600

Title: Materials Data on PrBrO by Materials Project

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Abstract

PrOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three PrOBr sheets oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) Pr–O bond lengths. All Pr–Br bond lengths are 3.07 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-756702

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; PrBrO; Br-O-Pr

OSTI Identifier:: 1290600

DOI:: https://doi.org/10.17188/1290600

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                    The Materials Project. Materials Data on PrBrO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290600.

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                    The Materials Project. Materials Data on PrBrO by Materials Project.  United States.  doi:https://doi.org/10.17188/1290600

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                    The Materials Project. 2020.  
"Materials Data on PrBrO by Materials Project".  United States.  doi:https://doi.org/10.17188/1290600.  https://www.osti.gov/servlets/purl/1290600. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1290600,

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

  author       = {The Materials Project},

  abstractNote = {PrOBr crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three PrOBr sheets oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 7-coordinate geometry to four equivalent O2- and three equivalent Br1- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) Pr–O bond lengths. All Pr–Br bond lengths are 3.07 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Pr3+ atoms.},

  doi          = {10.17188/1290600},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290600

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