Materials Data on AgClO2 by Materials Project

doi:10.17188/1199114

Title: Materials Data on AgClO2 by Materials Project

Abstract

AgO2Cl crystallizes in the orthorhombic Pcca space group. The structure is two-dimensional and consists of one AgO2Cl sheet oriented in the (0, 0, 1) direction. Ag is bonded to six equivalent O atoms to form a mixture of distorted edge and corner-sharing AgO6 pentagonal pyramids. There are a spread of Ag–O bond distances ranging from 2.45–2.66 Å. O is bonded to three equivalent Ag and one Cl atom to form a mixture of edge and corner-sharing OAg3Cl trigonal pyramids. The O–Cl bond length is 1.60 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.

Publication Date:: 2020-07-18

Other Number(s):: mp-22959

DOE Contract Number:: AC02-05CH11231; EDCBEE

Product Type:: Dataset

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)

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; AgClO2; Ag-Cl-O

OSTI Identifier:: 1199114

DOI:: https://doi.org/10.17188/1199114

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                    The Materials Project. Materials Data on AgClO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199114.

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                    The Materials Project. Materials Data on AgClO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199114

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                    The Materials Project. 2020.  
"Materials Data on AgClO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199114.  https://www.osti.gov/servlets/purl/1199114. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1199114,

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

  author       = {The Materials Project},

  abstractNote = {AgO2Cl crystallizes in the orthorhombic Pcca space group. The structure is two-dimensional and consists of one AgO2Cl sheet oriented in the (0, 0, 1) direction. Ag is bonded to six equivalent O atoms to form a mixture of distorted edge and corner-sharing AgO6 pentagonal pyramids. There are a spread of Ag–O bond distances ranging from 2.45–2.66 Å. O is bonded to three equivalent Ag and one Cl atom to form a mixture of edge and corner-sharing OAg3Cl trigonal pyramids. The O–Cl bond length is 1.60 Å. Cl is bonded in a water-like geometry to two equivalent O atoms.},

  doi          = {10.17188/1199114},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199114

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)