Materials Data on La(ClO)3 by Materials Project

doi:10.17188/1717147

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

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Abstract

La(OCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La(OCl)3 sheets oriented in the (0, 0, 1) direction. La is bonded in a 2-coordinate geometry to four O and five Cl atoms. There are a spread of La–O bond distances ranging from 2.41–3.14 Å. There are a spread of La–Cl bond distances ranging from 2.72–2.92 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a linear geometry to two equivalent La atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent La atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1212032

DOE Contract Number:: AC02-05CH11231; EDCBEE

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

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

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; La(ClO)3; Cl-La-O

OSTI Identifier:: 1717147

DOI:: https://doi.org/10.17188/1717147

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                    The Materials Project. Materials Data on La(ClO)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1717147.

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                    The Materials Project. Materials Data on La(ClO)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717147

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                    The Materials Project. 2020.  
"Materials Data on La(ClO)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717147.  https://www.osti.gov/servlets/purl/1717147. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1717147,

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

  author       = {The Materials Project},

  abstractNote = {La(OCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La(OCl)3 sheets oriented in the (0, 0, 1) direction. La is bonded in a 2-coordinate geometry to four O and five Cl atoms. There are a spread of La–O bond distances ranging from 2.41–3.14 Å. There are a spread of La–Cl bond distances ranging from 2.72–2.92 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a linear geometry to two equivalent La atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent La atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.},

  doi          = {10.17188/1717147},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1717147

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