Materials Data on Sm(ClO)3 by Materials Project

doi:10.17188/1680336

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

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Abstract

SmOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two SmOCl3 sheets oriented in the (0, 0, 1) direction. In each SmOCl3 sheet, Sm is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.34 Å) and one longer (2.46 Å) Sm–O bond lengths. There are a spread of Sm–Cl bond distances ranging from 2.61–2.86 Å. O is bonded in a linear geometry to two equivalent Sm atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Sm atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Sm atom.

Publication Date:: 2020-05-01

Other Number(s):: mp-1209705

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-Sm; Sm(ClO)3; crystal structure

OSTI Identifier:: 1680336

DOI:: https://doi.org/10.17188/1680336

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                    Materials Data on Sm(ClO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680336.

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                    Materials Data on Sm(ClO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680336

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                    2020.  
"Materials Data on Sm(ClO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680336.  https://www.osti.gov/servlets/purl/1680336. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1680336,

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

  
  abstractNote = {SmOCl3O2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and two SmOCl3 sheets oriented in the (0, 0, 1) direction. In each SmOCl3 sheet, Sm is bonded in a 7-coordinate geometry to two equivalent O and five Cl atoms. There are one shorter (2.34 Å) and one longer (2.46 Å) Sm–O bond lengths. There are a spread of Sm–Cl bond distances ranging from 2.61–2.86 Å. O is bonded in a linear geometry to two equivalent Sm atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent Sm atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one Sm atom.},

  doi          = {10.17188/1680336},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680336

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