Materials Data on K2NaInAs2 by Materials Project

Abstract

K2NaInAs2 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 As3- atoms. There are a spread of K–As bond distances ranging from 3.45–3.74 Å. Na1+ is bonded to four equivalent As3- atoms to form NaAs4 tetrahedra that share corners with four equivalent InAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent InAs4 tetrahedra. All Na–As bond lengths are 3.03 Å. In3+ is bonded to four equivalent As3- atoms to form InAs4 tetrahedra that share corners with four equivalent NaAs4 tetrahedra, edges with two equivalent NaAs4 tetrahedra, and edges with two equivalent InAs4 tetrahedra. All In–As bond lengths are 2.76 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+, two equivalent Na1+, and two equivalent In3+ atoms.