Materials Data on Zn by Materials Project

doi:10.17188/1687451

Title: Materials Data on Zn by Materials Project

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Abstract

Zn is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to sixteen Zn atoms to form ZnZn16 cuboctahedra that share corners with twenty-five ZnZn12 cuboctahedra, edges with twenty-one ZnZn16 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187812

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; Zn; Zn

OSTI Identifier:: 1687451

DOI:: https://doi.org/10.17188/1687451

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                    The Materials Project. Materials Data on Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687451.

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                    The Materials Project. Materials Data on Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1687451

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                    The Materials Project. 2020.  
"Materials Data on Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1687451.  https://www.osti.gov/servlets/purl/1687451. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1687451,

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

  author       = {The Materials Project},

  abstractNote = {Zn is alpha Samarium structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Zn sites. In the first Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and six longer (2.91 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded to twelve Zn atoms to form a mixture of corner, edge, and face-sharing ZnZn12 cuboctahedra. There are six shorter (2.65 Å) and three longer (2.90 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded to sixteen Zn atoms to form ZnZn16 cuboctahedra that share corners with twenty-five ZnZn12 cuboctahedra, edges with twenty-one ZnZn16 cuboctahedra, and faces with thirty-five ZnZn16 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.65–5.31 Å.},

  doi          = {10.17188/1687451},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687451

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