Materials Data on Zn3Si3(CuO6)2 by Materials Project

doi:10.17188/1320645

Title: Materials Data on Zn3Si3(CuO6)2 by Materials Project

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Abstract

Cu2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Cu–O bond lengths are 1.99 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.23 Å) and four longer (2.38 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Cu3+, two equivalent Zn2+, and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2014-09-30

Other Number(s):: mvc-3644

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; Zn3Si3(CuO6)2; Cu-O-Si-Zn

OSTI Identifier:: 1320645

DOI:: https://doi.org/10.17188/1320645

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                    The Materials Project. Materials Data on Zn3Si3(CuO6)2 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1320645.

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                    The Materials Project. Materials Data on Zn3Si3(CuO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320645

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                    The Materials Project. 2014.  
"Materials Data on Zn3Si3(CuO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320645.  https://www.osti.gov/servlets/purl/1320645. Pub date:Tue Sep 30 00:00:00 EDT 2014

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@article{osti_1320645,

  title        = {Materials Data on Zn3Si3(CuO6)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cu2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Cu–O bond lengths are 1.99 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.23 Å) and four longer (2.38 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Cu3+, two equivalent Zn2+, and one Si4+ atom.},

  doi          = {10.17188/1320645},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1320645

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