Materials Data on W(ClO)2 by Materials Project

doi:10.17188/1206298

Title: Materials Data on W(ClO)2 by Materials Project

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Abstract

WO2Cl2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one WO2Cl2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four O2- and two equivalent Cl1- atoms to form distorted corner-sharing WCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of W–O bond distances ranging from 1.84–2.03 Å. Both W–Cl bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. Cl1- is bonded in a single-bond geometry to one W6+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-32539

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; W(ClO)2; Cl-O-W

OSTI Identifier:: 1206298

DOI:: https://doi.org/10.17188/1206298

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                    The Materials Project. Materials Data on W(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206298.

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                    The Materials Project. Materials Data on W(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206298

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                    The Materials Project. 2020.  
"Materials Data on W(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206298.  https://www.osti.gov/servlets/purl/1206298. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1206298,

  title        = {Materials Data on W(ClO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WO2Cl2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one WO2Cl2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four O2- and two equivalent Cl1- atoms to form distorted corner-sharing WCl2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of W–O bond distances ranging from 1.84–2.03 Å. Both W–Cl bond lengths are 2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. Cl1- is bonded in a single-bond geometry to one W6+ atom.},

  doi          = {10.17188/1206298},

  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/10.17188/1206298

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