Materials Data on Pr(ClO2)3 by Materials Project

doi:10.17188/1652099

Title: Materials Data on Pr(ClO2)3 by Materials Project

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Abstract

Pr(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Pr and one Cl atom. The O–Cl bond length is 1.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1179842

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(ClO2)3; Cl-O-Pr

OSTI Identifier:: 1652099

DOI:: https://doi.org/10.17188/1652099

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                    The Materials Project. Materials Data on Pr(ClO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652099.

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                    The Materials Project. Materials Data on Pr(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652099

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                    The Materials Project. 2020.  
"Materials Data on Pr(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652099.  https://www.osti.gov/servlets/purl/1652099. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1652099,

  title        = {Materials Data on Pr(ClO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.62 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.58 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Pr and one Cl atom. The O–Cl bond length is 1.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two O atoms. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.},

  doi          = {10.17188/1652099},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1652099

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