Materials Data on Tm(ClO2)3 by Materials Project

doi:10.17188/1672654

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

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Abstract

Tm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tm(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tm is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Tm–O bond distances ranging from 2.08–2.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Tm and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tm 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:: 2019-01-11

Other Number(s):: mp-1208200

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-O-Tm; Tm(ClO2)3; crystal structure

OSTI Identifier:: 1672654

DOI:: https://doi.org/10.17188/1672654

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                    Materials Data on Tm(ClO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672654.

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                    Materials Data on Tm(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672654

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                    2019.  
"Materials Data on Tm(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672654.  https://www.osti.gov/servlets/purl/1672654. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1672654,

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

  
  abstractNote = {Tm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two Tm(O2Cl)3 ribbons oriented in the (1, 0, 0) direction. Tm is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Tm–O bond distances ranging from 2.08–2.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Tm and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Tm and one Cl atom. The O–Cl bond length is 1.58 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Tm 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          = {10.17188/1672654},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1672654

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