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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 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 bond lengths are 2.16 Å. In the third Zn2+ site, Zn2+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing ZnO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. All Zn–O bond lengths are 2.21 Å. There are three inequivalent O2- sites. In the first O2- site, 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°. In the second O2- site, O2- is bonded to six Zn2+ atoms to form a mixture of corner, edge, and face-sharing OZn6 octahedra. The corner-sharing octahedra tilt angles range from 0–47°. In the third O2- site, O2- is bonded to six Zn2+ atoms to form a mixture of corner and edge-sharing OZn6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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.
ZnO2 is Calaverite structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZnO2 sheet oriented in the (0, 0, 1) direction. Zn is bonded to six equivalent O atoms to form edge-sharing ZnO6 octahedra. All Zn–O bond lengths are 2.04 Å. O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zn atoms.
ZnO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.41 Å. In the second Zn site, Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.40 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.40 Å. In the fourth Zn site, Zn is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.38 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to two Zn and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Zn and one O atom. The O–O bond length is 1.27 Å. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Zn and one O atom. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to two Zn and one O atom. In the fifth O site, O is bonded to four Zn atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. In the sixth O site, O is bonded to four Zn atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. In the seventh O site, O is bonded to four Zn atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra. In the eighth O site, O is bonded to four Zn atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra.
ZnO is beta beryllia structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing ZnO4 tetrahedra. There are two shorter (1.97 Å) and two longer (2.04 Å) Zn–O bond lengths. O2- is bonded to four equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra.
ZnO2 crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two ZnO2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.87–2.03 Å. In the second Zn site, Zn is bonded to four O atoms to form corner-sharing ZnO4 tetrahedra. There is two shorter (1.96 Å) and two longer (2.01 Å) Zn–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to two Zn atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.41 Å. In the third O site, O is bonded in a distorted water-like geometry to two equivalent Zn atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Zn and one O atom. The O–O bond length is 1.47 Å.