Materials Data on Ac3Ag by Materials Project

doi:10.17188/1709945

Title: Materials Data on Ac3Ag by Materials Project

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Abstract

Ac3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Ag atoms to form distorted AcAc8Ag4 cuboctahedra that share corners with twelve equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with ten equivalent AcAc8Ag4 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.81 Å) Ac–Ac bond lengths. All Ac–Ag bond lengths are 3.81 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Ag atoms. All Ac–Ag bond lengths are 3.68 Å. Ag is bonded to twelve Ac atoms to form AgAc12 cuboctahedra that share corners with four equivalent AgAc12 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ag4 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with eight equivalent AcAc8Ag4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183080

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; Ac3Ag; Ac-Ag

OSTI Identifier:: 1709945

DOI:: https://doi.org/10.17188/1709945

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                    The Materials Project. Materials Data on Ac3Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709945.

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                    The Materials Project. Materials Data on Ac3Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1709945

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                    The Materials Project. 2020.  
"Materials Data on Ac3Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1709945.  https://www.osti.gov/servlets/purl/1709945. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1709945,

  title        = {Materials Data on Ac3Ag by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ac3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Ag atoms to form distorted AcAc8Ag4 cuboctahedra that share corners with twelve equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with ten equivalent AcAc8Ag4 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.81 Å) Ac–Ac bond lengths. All Ac–Ag bond lengths are 3.81 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Ag atoms. All Ac–Ag bond lengths are 3.68 Å. Ag is bonded to twelve Ac atoms to form AgAc12 cuboctahedra that share corners with four equivalent AgAc12 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ag4 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with eight equivalent AcAc8Ag4 cuboctahedra.},

  doi          = {10.17188/1709945},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1709945

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