Materials Data on Yb2Zn17 by Materials Project

doi:10.17188/1274438

Title: Materials Data on Yb2Zn17 by Materials Project

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Abstract

Yb2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Yb–Zn bond distances ranging from 3.06–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Yb and ten Zn atoms to form ZnYb2Zn10 cuboctahedra that share corners with fourteen ZnYb2Zn10 cuboctahedra, edges with six equivalent ZnYb3Zn9 cuboctahedra, and faces with ten ZnYb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.75 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Yb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–3.04 Å. In the third Zn site, Zn is bonded to three equivalent Yb and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnYb3Zn9 cuboctahedra. There are two shorter (2.58 Å) and one longer (2.86 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Yb and thirteen Zn atoms. The Zn–Zn bond length is 2.73 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-568437

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; Yb2Zn17; Yb-Zn

OSTI Identifier:: 1274438

DOI:: https://doi.org/10.17188/1274438

Citation Formats


                    The Materials Project. Materials Data on Yb2Zn17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274438.

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                    The Materials Project. Materials Data on Yb2Zn17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274438

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                    The Materials Project. 2020.  
"Materials Data on Yb2Zn17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274438.  https://www.osti.gov/servlets/purl/1274438. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274438,

  title        = {Materials Data on Yb2Zn17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb2Zn17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a 1-coordinate geometry to nineteen Zn atoms. There are a spread of Yb–Zn bond distances ranging from 3.06–3.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Yb and ten Zn atoms to form ZnYb2Zn10 cuboctahedra that share corners with fourteen ZnYb2Zn10 cuboctahedra, edges with six equivalent ZnYb3Zn9 cuboctahedra, and faces with ten ZnYb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.75 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Yb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.71–3.04 Å. In the third Zn site, Zn is bonded to three equivalent Yb and nine Zn atoms to form a mixture of distorted face, edge, and corner-sharing ZnYb3Zn9 cuboctahedra. There are two shorter (2.58 Å) and one longer (2.86 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 1-coordinate geometry to one Yb and thirteen Zn atoms. The Zn–Zn bond length is 2.73 Å.},

  doi          = {10.17188/1274438},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274438

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