Materials Data on AsCClO2F3 by Materials Project

doi:10.17188/1685916

Title: Materials Data on AsCClO2F3 by Materials Project

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Abstract

CF3AsO2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two AsO2Cl clusters. In each AsO2Cl cluster, As5+ is bonded in a distorted see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of As–O bond distances ranging from 1.73–1.90 Å. The As–Cl bond length is 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent As5+ atoms. Cl1- is bonded in a 1-coordinate geometry to one As5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1198257

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; AsCClO2F3; As-C-Cl-F-O

OSTI Identifier:: 1685916

DOI:: https://doi.org/10.17188/1685916

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                    The Materials Project. Materials Data on AsCClO2F3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685916.

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                    The Materials Project. Materials Data on AsCClO2F3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685916

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                    The Materials Project. 2020.  
"Materials Data on AsCClO2F3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685916.  https://www.osti.gov/servlets/purl/1685916. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685916,

  title        = {Materials Data on AsCClO2F3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CF3AsO2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two AsO2Cl clusters. In each AsO2Cl cluster, As5+ is bonded in a distorted see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of As–O bond distances ranging from 1.73–1.90 Å. The As–Cl bond length is 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent As5+ atoms. Cl1- is bonded in a 1-coordinate geometry to one As5+ atom.},

  doi          = {10.17188/1685916},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685916

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