Materials Data on La2ZnO4 by Materials Project
ZnOLa2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form edge-sharing LaO6 octahedra. There are a spread of La–O bond distances ranging from 2.43–2.51 Å. In the second La3+ site, La3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.94 Å. Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.91 Å) Zn–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three La3+ and one Zn2+ atom. In the third O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form distorted OLa3Zn tetrahedra that share corners with eight OLa4 tetrahedra and edges with two equivalent OLa3Zn tetrahedra. In the fourth O2- site, O2- is bonded to three La3+ and one Zn2+ atom to form a mixture of edge and corner-sharing OLa3Zn tetrahedra.