Materials Data on Na2La2PtO6 by Materials Project

Abstract

Na2La2PtO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share faces with two equivalent PtO6 octahedra. There are a spread of Na–O bond distances ranging from 2.38–2.42 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.43 Å. In the third Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–2.91 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.90 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.53–2.64 Å. In the third La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.72 Å. Pt4+ is bonded to six O2- atoms to form PtO6 octahedra that share a faceface with one NaO6 pentagonal pyramid. There are a spread of Pt–O bond distances ranging from 2.04–2.09 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two Na1+, three La3+, and one Pt4+ atom. In the second O2- site, O2- is bonded to two Na1+, three La3+, and one Pt4+ atom to form distorted ONa2La3Pt octahedra that share corners with seven ONa2La3Pt octahedra, edges with four ONa3La2Pt octahedra, and faces with three ONa2La3Pt octahedra. The corner-sharing octahedra tilt angles range from 3–64°. In the third O2- site, O2- is bonded to three Na1+, two La3+, and one Pt4+ atom to form distorted ONa3La2Pt octahedra that share corners with ten ONa2La3Pt octahedra, edges with four ONa3La2Pt octahedra, and faces with two ONa3La2Pt octahedra. The corner-sharing octahedra tilt angles range from 1–58°. In the fourth O2- site, O2- is bonded to two Na1+, three La3+, and one Pt4+ atom to form distorted ONa2La3Pt octahedra that share corners with ten ONa2La3Pt octahedra, edges with four ONa3La2Pt octahedra, and faces with two ONa3La2Pt octahedra. The corner-sharing octahedra tilt angles range from 1–56°. In the fifth O2- site, O2- is bonded to three Na1+, two La3+, and one Pt4+ atom to form distorted ONa3La2Pt octahedra that share corners with seven ONa2La3Pt octahedra, edges with four ONa2La3Pt octahedra, and faces with three ONa3La2Pt octahedra. The corner-sharing octahedra tilt angles range from 3–64°. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to two Na1+, three La3+, and one Pt4+ atom.