Materials Data on ZnO by Materials Project

doi:10.17188/1197511

Title: Materials Data on ZnO by Materials Project

Dataset
Other Related Research

Abstract

ZnO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to six equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OZn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-2229

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; O-Zn; ZnO; crystal structure

OSTI Identifier:: 1197511

DOI:: https://doi.org/10.17188/1197511

Citation Formats


                    Materials Data on ZnO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197511.

Copy to clipboard


                    Materials Data on ZnO by Materials Project.  United States.  doi:https://doi.org/10.17188/1197511

Copy to clipboard


                    2020.  
"Materials Data on ZnO by Materials Project".  United States.  doi:https://doi.org/10.17188/1197511.  https://www.osti.gov/servlets/purl/1197511. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1197511,

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

  
  abstractNote = {ZnO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zn2+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bond lengths are 2.17 Å. O2- is bonded to six equivalent Zn2+ atoms to form a mixture of corner and edge-sharing OZn6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1197511},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1197511

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on ZnO by Materials Project

Dataset

ZnO crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two ZnO sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Zn–O bond lengths are 1.96 Å. O2- is bonded in a trigonal non-coplanar geometry to three equivalent Zn2+ atoms.
Materials Data on ZnO by Materials Project

Dataset

ZnO is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Zn–O bond lengths are 2.33 Å. O2- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
Materials Data on ZnO by Materials Project

Dataset

ZnO is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form corner-sharing ZnO4 tetrahedra. All Zn–O bond lengths are 2.01 Å. O2- is bonded to four equivalent Zn2+ atoms to form corner-sharing OZn4 tetrahedra.
Materials Data on ZnO by Materials Project

Dataset

ZnO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.16 Å) and three longer (2.17 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–O bondmore »« less
Materials Data on ZnO by Materials Project

Dataset

ZnO is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form corner-sharing ZnO4 tetrahedra. There are three shorter (2.00 Å) and one longer (2.01 Å) Zn–O bond lengths. O2- is bonded to four equivalent Zn2+ atoms to form corner-sharing OZn4 tetrahedra.

Similar Records