Materials Data on LaZnFeCoO6 by Materials Project
LaFeCoZnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.79 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 25–44°. There are a spread of Fe–O bond distances ranging from 1.96–2.05 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 25–44°. There are a spread of Co–O bond distances ranging from 1.94–2.02 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.08–2.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Fe3+, one Co4+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids. In the sixth O2- site, O2- is bonded to one La3+, one Fe3+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OLaZnFeCo trigonal pyramids.