Materials Data on LaN(ClO)4 by Materials Project

doi:10.17188/1738598

Title: Materials Data on LaN(ClO)4 by Materials Project

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Abstract

La(OCl2)2NO2 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two nitrous acid molecules and two La(OCl2)2 ribbons oriented in the (1, 0, 0) direction. In each La(OCl2)2 ribbon, La is bonded in a 8-coordinate geometry to four equivalent O and two equivalent Cl atoms. All La–O bond lengths are 2.44 Å. Both La–Cl bond lengths are 2.82 Å. O is bonded in a distorted T-shaped geometry to two equivalent La 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 single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-1212058

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-La-N-O; LaN(ClO)4; crystal structure

OSTI Identifier:: 1738598

DOI:: https://doi.org/10.17188/1738598

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                    Materials Data on LaN(ClO)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738598.

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                    Materials Data on LaN(ClO)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738598

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                    2020.  
"Materials Data on LaN(ClO)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738598.  https://www.osti.gov/servlets/purl/1738598. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1738598,

  title        = {Materials Data on LaN(ClO)4 by Materials Project},

  
  abstractNote = {La(OCl2)2NO2 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two nitrous acid molecules and two La(OCl2)2 ribbons oriented in the (1, 0, 0) direction. In each La(OCl2)2 ribbon, La is bonded in a 8-coordinate geometry to four equivalent O and two equivalent Cl atoms. All La–O bond lengths are 2.44 Å. Both La–Cl bond lengths are 2.82 Å. O is bonded in a distorted T-shaped geometry to two equivalent La 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 single-bond geometry to one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.},

  doi          = {10.17188/1738598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738598

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