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Materials Data on BaZnO2 by Materials Project

BaZnO2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.33 Å. Zn2+ is bonded to four equivalent O2- atoms to form corner-sharing ZnO4 tetrahedra. There are two shorter (1.95 Å) and two longer (2.06 Å) Zn–O bond lengths. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗