Materials Data on K2NaInP2 by Materials Project

Abstract

K2NaInP2 is Matlockite-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are a spread of K–P bond distances ranging from 3.37–3.69 Å. Na1+ is bonded to four equivalent P3- atoms to form NaP4 tetrahedra that share corners with four equivalent InP4 tetrahedra, edges with two equivalent NaP4 tetrahedra, and edges with two equivalent InP4 tetrahedra. All Na–P bond lengths are 2.94 Å. In3+ is bonded to four equivalent P3- atoms to form InP4 tetrahedra that share corners with four equivalent NaP4 tetrahedra, edges with two equivalent NaP4 tetrahedra, and edges with two equivalent InP4 tetrahedra. All In–P bond lengths are 2.66 Å. P3- is bonded in a 9-coordinate geometry to five equivalent K1+, two equivalent Na1+, and two equivalent In3+ atoms.