Materials Data on Pr(ClO)3 by Materials Project

doi:10.17188/1732466

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

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Abstract

PrOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two PrOCl3 sheets oriented in the (0, 0, 1) direction. In each PrOCl3 sheet, Pr is bonded in a 6-coordinate geometry to two equivalent O and four equivalent Cl atoms. There are one shorter (2.34 Å) and one longer (2.40 Å) Pr–O bond lengths. There are two shorter (2.84 Å) and two longer (2.85 Å) Pr–Cl bond lengths. O is bonded in a trigonal planar geometry to two equivalent Pr and one Cl atom. The O–Cl bond length is 1.69 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Pr atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1210675

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(ClO)3; Cl-O-Pr

OSTI Identifier:: 1732466

DOI:: https://doi.org/10.17188/1732466

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                    The Materials Project. Materials Data on Pr(ClO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732466.

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                    The Materials Project. Materials Data on Pr(ClO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732466

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                    The Materials Project. 2020.  
"Materials Data on Pr(ClO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732466.  https://www.osti.gov/servlets/purl/1732466. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732466,

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

  author       = {The Materials Project},

  abstractNote = {PrOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two PrOCl3 sheets oriented in the (0, 0, 1) direction. In each PrOCl3 sheet, Pr is bonded in a 6-coordinate geometry to two equivalent O and four equivalent Cl atoms. There are one shorter (2.34 Å) and one longer (2.40 Å) Pr–O bond lengths. There are two shorter (2.84 Å) and two longer (2.85 Å) Pr–Cl bond lengths. O is bonded in a trigonal planar geometry to two equivalent Pr and one Cl atom. The O–Cl bond length is 1.69 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Pr atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1732466},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1732466

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