Materials Data on Pr(BrO2)3 by Materials Project

doi:10.17188/1719316

Title: Materials Data on Pr(BrO2)3 by Materials Project

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Abstract

Pr(O2Br)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Pr(O2Br)3 sheet oriented in the (0, 1, 0) direction. Pr3+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.37 Å) and two longer (2.42 Å) Pr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.74 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.77 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a water-like geometry to two O2- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1188744

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; Pr(BrO2)3; Br-O-Pr

OSTI Identifier:: 1719316

DOI:: https://doi.org/10.17188/1719316

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                    The Materials Project. Materials Data on Pr(BrO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1719316.

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                    The Materials Project. Materials Data on Pr(BrO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1719316

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                    The Materials Project. 2019.  
"Materials Data on Pr(BrO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1719316.  https://www.osti.gov/servlets/purl/1719316. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1719316,

  title        = {Materials Data on Pr(BrO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(O2Br)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Pr(O2Br)3 sheet oriented in the (0, 1, 0) direction. Pr3+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.37 Å) and two longer (2.42 Å) Pr–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.74 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pr3+ and one Br3+ atom. The O–Br bond length is 1.77 Å. There are two inequivalent Br3+ sites. In the first Br3+ site, Br3+ is bonded in a water-like geometry to two equivalent O2- atoms. In the second Br3+ site, Br3+ is bonded in a water-like geometry to two O2- atoms.},

  doi          = {10.17188/1719316},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1719316

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