Materials Data on CaZn2 by Materials Project

doi:10.17188/1189545

Title: Materials Data on CaZn2 by Materials Project

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Abstract

CaZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.17–3.30 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ca and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.75 Å. In the second Zn site, Zn is bonded to six equivalent Ca and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. There are two shorter (2.82 Å) and two longer (2.83 Å) Zn–Zn bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-13364

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; CaZn2; Ca-Zn

OSTI Identifier:: 1189545

DOI:: https://doi.org/10.17188/1189545

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                    The Materials Project. Materials Data on CaZn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189545.

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                    The Materials Project. Materials Data on CaZn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189545

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                    The Materials Project. 2020.  
"Materials Data on CaZn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189545.  https://www.osti.gov/servlets/purl/1189545. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189545,

  title        = {Materials Data on CaZn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.17–3.30 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to six equivalent Ca and six equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.75 Å. In the second Zn site, Zn is bonded to six equivalent Ca and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnCa6Zn6 cuboctahedra. There are two shorter (2.82 Å) and two longer (2.83 Å) Zn–Zn bond lengths.},

  doi          = {10.17188/1189545},

  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/10.17188/1189545

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