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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 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.
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.
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.
(ZnO2)5(NO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four nitric acid molecules and two ZnO2 sheets oriented in the (1, 0, 0) direction. In each ZnO2 sheet, there are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with four equivalent ZnO4 tetrahedra and edges with four equivalent ZnO6 octahedra. There are two shorter (2.01 Å) and four longer (2.05 Å) Zn–O bond lengths. In the second Zn site, Zn is bonded to six O atoms to form ZnO6 octahedra that share corners with four equivalent ZnO4 tetrahedra and edges with four ZnO6 octahedra. There are a spread of Zn–O bond distances ranging from 2.01–2.07 Å. In the third Zn site, Zn is bonded to four O atoms to form corner-sharing ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–55°. There are a spread of Zn–O bond distances ranging from 1.89–1.96 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Zn atoms. In the second O site, O is bonded in a trigonal planar geometry to three Zn atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Zn atoms. In the fourth O site, O is bonded in a single-bond geometry to one Zn atom.