Materials Data on CaZn by Materials Project

doi:10.17188/1672071

Title: Materials Data on CaZn by Materials Project

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Abstract

CaZn is Tungsten Carbide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn atoms to form a mixture of distorted edge and corner-sharing CaZn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Zn bond lengths are 3.13 Å. Zn is bonded to six equivalent Ca atoms to form a mixture of distorted edge and corner-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: Wed Jun 07 00:00:00 EDT 2017

Other Number(s):: mp-1039275

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ca-Zn; CaZn; crystal structure

OSTI Identifier:: 1672071

DOI:: https://doi.org/10.17188/1672071

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                    Materials Data on CaZn by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1672071.

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                    Materials Data on CaZn by Materials Project.  United States.  doi:https://doi.org/10.17188/1672071

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                    2017.  
"Materials Data on CaZn by Materials Project".  United States.  doi:https://doi.org/10.17188/1672071.  https://www.osti.gov/servlets/purl/1672071. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1672071,

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

  
  abstractNote = {CaZn is Tungsten Carbide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn atoms to form a mixture of distorted edge and corner-sharing CaZn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Zn bond lengths are 3.13 Å. Zn is bonded to six equivalent Ca atoms to form a mixture of distorted edge and corner-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1672071},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jun 07 00:00:00 EDT 2017},

  month        = {Wed Jun 07 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1672071

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Materials Data on CaZn by Materials Project

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CaZn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven equivalent Zn atoms. There are a spread of Ca–Zn bond distances ranging from 3.20–3.31 Å. Zn is bonded in a 9-coordinate geometry to seven equivalent Ca and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.63 Å.
Materials Data on CaZn by Materials Project

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CaZn is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Zn atoms. All Ca–Zn bond lengths are 3.13 Å. Zn is bonded to six equivalent Ca atoms to form a mixture of distorted edge, face, and corner-sharing ZnCa6 pentagonal pyramids.
Materials Data on CaZn by Materials Project

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CaZn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded to five equivalent Zn atoms to form a mixture of edge and corner-sharing CaZn5 trigonal bipyramids. There are a spread of Ca–Zn bond distances ranging from 3.00–3.12 Å. Zn is bonded to five equivalent Ca atoms to form a mixture of edge and corner-sharing ZnCa5 trigonal bipyramids.
Materials Data on CaZn by Materials Project

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CaZn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Zn atoms to form corner-sharing CaZn4 tetrahedra. All Ca–Zn bond lengths are 2.93 Å. Zn is bonded to four equivalent Ca atoms to form corner-sharing ZnCa4 tetrahedra.
Materials Data on CaZn by Materials Project

Dataset

CaZn is Tungsten Carbide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn atoms to form a mixture of distorted edge and corner-sharing CaZn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Zn bond lengths are 3.12 Å. Zn is bonded to six equivalent Ca atoms to form a mixture of distorted edge and corner-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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