Materials Data on Lu(ClO2)3 by Materials Project

doi:10.17188/1699060

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

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Abstract

Lu(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Lu(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Lu is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Lu–O bond distances ranging from 2.11–2.41 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Lu and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Lu and one Cl atom. The O–Cl bond length is 1.57 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Lu 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 single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.

Publication Date:: 2019-01-10

Other Number(s):: mp-1189170

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Lu-O; Lu(ClO2)3; crystal structure

OSTI Identifier:: 1699060

DOI:: https://doi.org/10.17188/1699060

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                    Materials Data on Lu(ClO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1699060.

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                    Materials Data on Lu(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699060

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                    2019.  
"Materials Data on Lu(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699060.  https://www.osti.gov/servlets/purl/1699060. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1699060,

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

  
  abstractNote = {Lu(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Lu(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Lu is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Lu–O bond distances ranging from 2.11–2.41 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Lu and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Lu and one Cl atom. The O–Cl bond length is 1.57 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Lu 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 single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a water-like geometry to two equivalent O atoms.},

  doi          = {10.17188/1699060},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1699060

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