Materials Data on Ce(ZnAu2)2 by Materials Project

doi:10.17188/1750450

Title: Materials Data on Ce(ZnAu2)2 by Materials Project

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Abstract

Ce(Au2Zn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Au atoms to form a mixture of distorted edge and face-sharing CeAu12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.35 Å) Ce–Au bond lengths. There are five inequivalent Au sites. In the first Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the second Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the third Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Au bond lengths are 2.89 Å. All Au–Zn bond lengths are 2.89 Å. In the fourth Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Aumore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1077954

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; Ce(ZnAu2)2; Au-Ce-Zn

OSTI Identifier:: 1750450

DOI:: https://doi.org/10.17188/1750450

Citation Formats


                    The Materials Project. Materials Data on Ce(ZnAu2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1750450.

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                    The Materials Project. Materials Data on Ce(ZnAu2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750450

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                    The Materials Project. 2020.  
"Materials Data on Ce(ZnAu2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750450.  https://www.osti.gov/servlets/purl/1750450. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1750450,

  title        = {Materials Data on Ce(ZnAu2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce(Au2Zn)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded to twelve Au atoms to form a mixture of distorted edge and face-sharing CeAu12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.35 Å) Ce–Au bond lengths. There are five inequivalent Au sites. In the first Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the second Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. There are two shorter (2.80 Å) and two longer (2.89 Å) Au–Au bond lengths. All Au–Zn bond lengths are 2.89 Å. In the third Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Au bond lengths are 2.89 Å. All Au–Zn bond lengths are 2.89 Å. In the fourth Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. Both Au–Au bond lengths are 2.80 Å. All Au–Zn bond lengths are 2.89 Å. In the fifth Au site, Au is bonded in a 11-coordinate geometry to three equivalent Ce, four Au, and four equivalent Zn atoms. The Au–Au bond length is 2.80 Å. All Au–Zn bond lengths are 2.89 Å. Zn is bonded in a 10-coordinate geometry to eight Au and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.70 Å.},

  doi          = {10.17188/1750450},

  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/10.17188/1750450

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