Materials Data on Cd3Ag by Materials Project

doi:10.17188/1740212

Title: Materials Data on Cd3Ag by Materials Project

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Abstract

AgCd3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ag is bonded to six equivalent Cd atoms to form distorted AgCd6 cuboctahedra that share corners with twenty-four CdCd12 cuboctahedra, edges with six equivalent AgCd6 cuboctahedra, edges with twelve equivalent CdCd9Ag3 cuboctahedra, and faces with two equivalent CdCd12 cuboctahedra. All Ag–Cd bond lengths are 2.95 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent AgCd6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent AgCd6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.11–3.18 Å. In the second Cd site, Cd is bonded to three equivalent Ag and nine Cd atoms to form distorted CdCd9Ag3 cuboctahedra that share corners with six equivalent AgCd6 cuboctahedra, corners with eighteen equivalent CdCd9Ag3 cuboctahedra, edges with six equivalent AgCd6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. There are two shorter (3.16 Å) and four longer (3.18 Å) Cd–Cd bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1226933

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; Cd3Ag; Ag-Cd

OSTI Identifier:: 1740212

DOI:: https://doi.org/10.17188/1740212

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                    The Materials Project. Materials Data on Cd3Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740212.

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                    The Materials Project. Materials Data on Cd3Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1740212

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                    The Materials Project. 2020.  
"Materials Data on Cd3Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1740212.  https://www.osti.gov/servlets/purl/1740212. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740212,

  title        = {Materials Data on Cd3Ag by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgCd3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ag is bonded to six equivalent Cd atoms to form distorted AgCd6 cuboctahedra that share corners with twenty-four CdCd12 cuboctahedra, edges with six equivalent AgCd6 cuboctahedra, edges with twelve equivalent CdCd9Ag3 cuboctahedra, and faces with two equivalent CdCd12 cuboctahedra. All Ag–Cd bond lengths are 2.95 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to twelve Cd atoms to form CdCd12 cuboctahedra that share corners with six equivalent CdCd12 cuboctahedra, corners with twelve equivalent AgCd6 cuboctahedra, edges with eighteen CdCd12 cuboctahedra, faces with two equivalent AgCd6 cuboctahedra, and faces with eighteen CdCd12 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.11–3.18 Å. In the second Cd site, Cd is bonded to three equivalent Ag and nine Cd atoms to form distorted CdCd9Ag3 cuboctahedra that share corners with six equivalent AgCd6 cuboctahedra, corners with eighteen equivalent CdCd9Ag3 cuboctahedra, edges with six equivalent AgCd6 cuboctahedra, edges with twelve CdCd12 cuboctahedra, and faces with fourteen CdCd12 cuboctahedra. There are two shorter (3.16 Å) and four longer (3.18 Å) Cd–Cd bond lengths.},

  doi          = {10.17188/1740212},

  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/10.17188/1740212

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