Materials Data on ScZn2 by Materials Project

doi:10.17188/1189631

Title: Materials Data on ScZn2 by Materials Project

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Abstract

ScZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Zn atoms. There are one shorter (3.20 Å) and three longer (3.22 Å) Sc–Sc bond lengths. There are three shorter (3.03 Å) and nine longer (3.09 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Sc and six equivalent Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded to six equivalent Sc and six Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.71 Å) Zn–Zn bond lengths.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-13503

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; ScZn2; Sc-Zn

OSTI Identifier:: 1189631

DOI:: https://doi.org/10.17188/1189631

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                    The Materials Project. Materials Data on ScZn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189631.

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                    The Materials Project. Materials Data on ScZn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189631

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                    The Materials Project. 2020.  
"Materials Data on ScZn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189631.  https://www.osti.gov/servlets/purl/1189631. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189631,

  title        = {Materials Data on ScZn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Sc and twelve Zn atoms. There are one shorter (3.20 Å) and three longer (3.22 Å) Sc–Sc bond lengths. There are three shorter (3.03 Å) and nine longer (3.09 Å) Sc–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Sc and six equivalent Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.64 Å. In the second Zn site, Zn is bonded to six equivalent Sc and six Zn atoms to form a mixture of face, edge, and corner-sharing ZnSc6Zn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.71 Å) Zn–Zn bond lengths.},

  doi          = {10.17188/1189631},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189631

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