Materials Data on Ca(ZnSi)2 by Materials Project

doi:10.17188/1188597

Title: Materials Data on Ca(ZnSi)2 by Materials Project

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Abstract

CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ca–Zn bond lengths are 3.31 Å. All Ca–Si bond lengths are 3.23 Å. Zn is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ZnCa4Si4 tetrahedra. All Zn–Si bond lengths are 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.35 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-12137

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; Ca(ZnSi)2; Ca-Si-Zn

OSTI Identifier:: 1188597

DOI:: https://doi.org/10.17188/1188597

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                    The Materials Project. Materials Data on Ca(ZnSi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188597.

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                    The Materials Project. Materials Data on Ca(ZnSi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188597

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                    The Materials Project. 2020.  
"Materials Data on Ca(ZnSi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188597.  https://www.osti.gov/servlets/purl/1188597. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1188597,

  title        = {Materials Data on Ca(ZnSi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaZn2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Si atoms. All Ca–Zn bond lengths are 3.31 Å. All Ca–Si bond lengths are 3.23 Å. Zn is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing ZnCa4Si4 tetrahedra. All Zn–Si bond lengths are 2.53 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Zn, and one Si atom. The Si–Si bond length is 2.35 Å.},

  doi          = {10.17188/1188597},

  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/10.17188/1188597

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