Materials Data on ZnAg3 by Materials Project

doi:10.17188/1684420

Title: Materials Data on ZnAg3 by Materials Project

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Abstract

Ag3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with fourteen equivalent AgZn4Ag8 cuboctahedra, edges with six equivalent ZnAg12 cuboctahedra, edges with twelve equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with sixteen equivalent AgZn4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.94 Å. There are two shorter (2.87 Å) and two longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with six equivalent ZnAg12 cuboctahedra, corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eighteen equivalent AgZn4Ag8 cuboctahedra, faces with eight equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1187952

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; ZnAg3; Ag-Zn

OSTI Identifier:: 1684420

DOI:: https://doi.org/10.17188/1684420

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                    The Materials Project. Materials Data on ZnAg3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684420.

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                    The Materials Project. Materials Data on ZnAg3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684420

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                    The Materials Project. 2020.  
"Materials Data on ZnAg3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684420.  https://www.osti.gov/servlets/purl/1684420. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1684420,

  title        = {Materials Data on ZnAg3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with fourteen equivalent AgZn4Ag8 cuboctahedra, edges with six equivalent ZnAg12 cuboctahedra, edges with twelve equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with sixteen equivalent AgZn4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.94 Å. There are two shorter (2.87 Å) and two longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with six equivalent ZnAg12 cuboctahedra, corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eighteen equivalent AgZn4Ag8 cuboctahedra, faces with eight equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.},

  doi          = {10.17188/1684420},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1684420

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