Materials Data on KNa2GaO3 by Materials Project
KNa2GaO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.74–3.25 Å. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.33–2.74 Å. Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.84–1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, four equivalent Na1+, and one Ga3+ atom. In the second O2- site, O2- is bonded to two equivalent K1+, two equivalent Na1+, and two equivalent Ga3+ atoms to form distorted edge-sharing OK2Na2Ga2 octahedra. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one K1+, four equivalent Na1+, and one Ga3+ atom.