Materials Data on Na2Zn2O3 by Materials Project

Abstract

Na2Zn2O3 crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.53 Å. Zn2+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Zn2+ atoms to form distorted edge-sharing ONa3Zn3 octahedra.