Materials Data on U3Zn by Materials Project

doi:10.17188/1685700

Title: Materials Data on U3Zn by Materials Project

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Abstract

U3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Zn atoms to form distorted UU8Zn4 cuboctahedra that share corners with twelve equivalent UU8Zn4 cuboctahedra, edges with eight equivalent ZnU12 cuboctahedra, edges with sixteen UU8Zn4 cuboctahedra, faces with four equivalent ZnU12 cuboctahedra, and faces with fourteen UU8Zn4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.07 Å) U–U bond lengths. All U–Zn bond lengths are 3.00 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Zn atoms to form UU8Zn4 cuboctahedra that share corners with four equivalent UU8Zn4 cuboctahedra, corners with eight equivalent ZnU12 cuboctahedra, edges with twenty-four UU8Zn4 cuboctahedra, faces with six equivalent ZnU12 cuboctahedra, and faces with twelve UU8Zn4 cuboctahedra. All U–Zn bond lengths are 3.07 Å. Zn is bonded to twelve U atoms to form ZnU12 cuboctahedra that share corners with four equivalent ZnU12 cuboctahedra, corners with eight equivalent UU8Zn4 cuboctahedra, edges with eight equivalent ZnU12 cuboctahedra, edges with sixteen equivalent UU8Zn4 cuboctahedra, faces with four equivalent ZnU12 cuboctahedra, and facesmore » with fourteen UU8Zn4 cuboctahedra.« less

Authors:: The Materials Project

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

Other Number(s):: mp-1187756

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; U3Zn; U-Zn

OSTI Identifier:: 1685700

DOI:: https://doi.org/10.17188/1685700

Citation Formats


                    The Materials Project. Materials Data on U3Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685700.

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                    The Materials Project. Materials Data on U3Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1685700

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                    The Materials Project. 2020.  
"Materials Data on U3Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1685700.  https://www.osti.gov/servlets/purl/1685700. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685700,

  title        = {Materials Data on U3Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent Zn atoms to form distorted UU8Zn4 cuboctahedra that share corners with twelve equivalent UU8Zn4 cuboctahedra, edges with eight equivalent ZnU12 cuboctahedra, edges with sixteen UU8Zn4 cuboctahedra, faces with four equivalent ZnU12 cuboctahedra, and faces with fourteen UU8Zn4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.07 Å) U–U bond lengths. All U–Zn bond lengths are 3.00 Å. In the second U site, U is bonded to eight equivalent U and four equivalent Zn atoms to form UU8Zn4 cuboctahedra that share corners with four equivalent UU8Zn4 cuboctahedra, corners with eight equivalent ZnU12 cuboctahedra, edges with twenty-four UU8Zn4 cuboctahedra, faces with six equivalent ZnU12 cuboctahedra, and faces with twelve UU8Zn4 cuboctahedra. All U–Zn bond lengths are 3.07 Å. Zn is bonded to twelve U atoms to form ZnU12 cuboctahedra that share corners with four equivalent ZnU12 cuboctahedra, corners with eight equivalent UU8Zn4 cuboctahedra, edges with eight equivalent ZnU12 cuboctahedra, edges with sixteen equivalent UU8Zn4 cuboctahedra, faces with four equivalent ZnU12 cuboctahedra, and faces with fourteen UU8Zn4 cuboctahedra.},

  doi          = {10.17188/1685700},

  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/10.17188/1685700

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