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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.
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.
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.
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°.
ZnO2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Zn is bonded to six equivalent O atoms to form ZnO6 octahedra that share corners with twelve equivalent ZnO6 octahedra and corners with six equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Zn–O bond lengths are 2.14 Å. O is bonded to three equivalent Zn and one O atom to form OZn3O tetrahedra that share corners with three equivalent ZnO6 octahedra and corners with fifteen equivalent OZn3O tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.
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.