Materials Data on Sm(ClO2)3 by Materials Project

doi:10.17188/1699706

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

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Abstract

Sm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sm(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Sm is bonded in a 8-coordinate geometry to six O and two equivalent Cl atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.42 Å. Both Sm–Cl bond lengths are 2.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one O and one Cl atom. The O–O bond length is 1.24 Å. The O–Cl bond length is 2.14 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Sm and one O atom. The O–O bond length is 1.44 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted bent 120 degrees geometry to one Sm and one O atom. In the second Cl site, Cl is bonded in a bent 150 degrees geometry to two equivalentmore » O atoms.« less

Publication Date:: 2019-01-11

Other Number(s):: mp-1188682

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(ClO2)3; crystal structure

OSTI Identifier:: 1699706

DOI:: https://doi.org/10.17188/1699706

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                    Materials Data on Sm(ClO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1699706.

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                    Materials Data on Sm(ClO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699706

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                    2019.  
"Materials Data on Sm(ClO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699706.  https://www.osti.gov/servlets/purl/1699706. Pub date:Fri Jan 11 04:00:00 UTC 2019

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@article{osti_1699706,

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

  
  abstractNote = {Sm(O2Cl)3 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Sm(O2Cl)3 sheet oriented in the (0, 1, 0) direction. Sm is bonded in a 8-coordinate geometry to six O and two equivalent Cl atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.42 Å. Both Sm–Cl bond lengths are 2.95 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one O and one Cl atom. The O–O bond length is 1.24 Å. The O–Cl bond length is 2.14 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Sm and one O atom. The O–O bond length is 1.44 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Sm and one Cl atom. The O–Cl bond length is 1.68 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted bent 120 degrees geometry to one Sm and one O atom. In the second Cl site, Cl is bonded in a bent 150 degrees geometry to two equivalent O atoms.},

  doi          = {10.17188/1699706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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