Materials Data on AgClO2 by Materials Project

doi:10.17188/1317131

Title: Materials Data on AgClO2 by Materials Project

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Abstract

AgO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one AgO2Cl sheet oriented in the (0, 0, 1) direction. Ag is bonded to one O and five equivalent Cl atoms to form a mixture of edge and corner-sharing AgCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. The Ag–O bond length is 2.75 Å. There are four shorter (2.71 Å) and one longer (2.87 Å) Ag–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded to five equivalent Ag atoms to form a mixture of edge and corner-sharing ClAg5 square pyramids.

Publication Date:: 2020-07-23

Other Number(s):: mp-997013

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; Ag-Cl-O; AgClO2; crystal structure

OSTI Identifier:: 1317131

DOI:: https://doi.org/10.17188/1317131

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                    Materials Data on AgClO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317131.

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                    Materials Data on AgClO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317131

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                    2020.  
"Materials Data on AgClO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317131.  https://www.osti.gov/servlets/purl/1317131. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1317131,

  title        = {Materials Data on AgClO2 by Materials Project},

  
  abstractNote = {AgO2Cl crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one AgO2Cl sheet oriented in the (0, 0, 1) direction. Ag is bonded to one O and five equivalent Cl atoms to form a mixture of edge and corner-sharing AgCl5O octahedra. The corner-sharing octahedral tilt angles are 3°. The Ag–O bond length is 2.75 Å. There are four shorter (2.71 Å) and one longer (2.87 Å) Ag–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded to five equivalent Ag atoms to form a mixture of edge and corner-sharing ClAg5 square pyramids.},

  doi          = {10.17188/1317131},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1317131

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