Materials Data on Zn3Si3(CuO6)2 by Materials Project

doi:10.17188/1320645

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

Dataset
Other Related Research

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.

Publication Date:: Tue Sep 30 04:00:00 UTC 2014

Other Number(s):: mvc-3644

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

OSTI Identifier:: 1320645

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

Citation Formats


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

Copy to clipboard


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

Copy to clipboard


                    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 04:00:00 UTC 2014

Copy to clipboard


                    
@article{osti_1320645,

  title        = {Materials Data on Zn3Si3(CuO6)2 by 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         = {Tue Sep 30 04:00:00 UTC 2014},

  month        = {Tue Sep 30 04:00:00 UTC 2014}

}

Copy to clipboard

Dataset:

View Dataset

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

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Zn3Si3(AgO6)2 by Materials Project

Dataset

Zn3Si3(AgO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Ag–O bond lengths are 2.17 Å. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.30 Å) and four longer (2.36 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AgO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Si–O bond lengths are 1.66 Å.more »« less
Materials Data on Zn3Si3(SnO6)2 by Materials Project

Dataset

Zn3Si3(SnO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.55 Å) Zn–O bond lengths. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sn–O bond lengths are 2.12 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Si–O bond lengths are 1.68more »« less
Materials Data on Zn3Si3(WO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn3Si3(SbO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Zn3Si3(NiO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records