Materials Data on Y(AgCl2)3 by Materials Project

doi:10.17188/1207096

Title: Materials Data on Y(AgCl2)3 by Materials Project

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Abstract

Y(AgCl2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Y–Cl bond lengths are 2.67 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (2.63 Å) and three longer (3.12 Å) Ag–Cl bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ag–Cl bond lengths are 2.79 Å. Cl1- is bonded to one Y3+ and three Ag1+ atoms to form a mixture of distorted corner and edge-sharing ClYAg3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2017-05-11

Other Number(s):: mp-35906

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; Y(AgCl2)3; Ag-Cl-Y

OSTI Identifier:: 1207096

DOI:: https://doi.org/10.17188/1207096

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                    The Materials Project. Materials Data on Y(AgCl2)3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1207096.

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                    The Materials Project. Materials Data on Y(AgCl2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207096

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                    The Materials Project. 2017.  
"Materials Data on Y(AgCl2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207096.  https://www.osti.gov/servlets/purl/1207096. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1207096,

  title        = {Materials Data on Y(AgCl2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y(AgCl2)3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded to six equivalent Cl1- atoms to form YCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Y–Cl bond lengths are 2.67 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six equivalent Cl1- atoms. There are three shorter (2.63 Å) and three longer (3.12 Å) Ag–Cl bond lengths. In the second Ag1+ site, Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent YCl6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ag–Cl bond lengths are 2.79 Å. Cl1- is bonded to one Y3+ and three Ag1+ atoms to form a mixture of distorted corner and edge-sharing ClYAg3 trigonal pyramids.},

  doi          = {10.17188/1207096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207096

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