La2BaZnO5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2) and eight equivalent O(1) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Zn(1) is bonded in a distorted tetrahedral geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), three equivalent La(1), and one Zn(1) atom to form distorted OBa2La3Zn octahedra that share corners with four equivalent O(2)Ba2La4 octahedra, corners with ten equivalent O(1)Ba2La3Zn octahedra, edges with eight equivalent O(1)Ba2La3Zn octahedra, faces with two equivalent O(1)Ba2La3Zn octahedra, and faces with two equivalent O(2)Ba2La4 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. In the second O site, O(2) is bonded to two equivalent Ba(1) and four equivalent La(1) atoms to form OBa2La4 octahedra that share corners with six equivalent O(2)Ba2La4 octahedra, corners with sixteen equivalent O(1)Ba2La3Zn octahedra, and faces with eight equivalent O(1)Ba2La3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-63°.
La2BaZnO5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(2) and eight equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 2.93 Å. All Ba(1)-O(1) bond lengths are 2.99 Å. La(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. Both La(1)-O(2) bond lengths are 2.56 Å. There are two shorter (2.34 Å) and four longer (2.73 Å) La(1)-O(1) bond lengths. Zn(1) is bonded in a distorted tetrahedral geometry to four equivalent O(1) atoms. All Zn(1)-O(1) bond lengths are 1.99 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), three equivalent La(1), and one Zn(1) atom to form distorted OBa2La3Zn octahedra that share corners with four equivalent O(2)Ba2La4 octahedra, corners with ten equivalent O(1)Ba2La3Zn octahedra, edges with eight equivalent O(1)Ba2La3Zn octahedra, faces with two equivalent O(1)Ba2La3Zn octahedra, and faces with two equivalent O(2)Ba2La4 octahedra. The corner-sharing octahedral tilt angles range from 32-63°. In the second O site, O(2) is bonded to two equivalent Ba(1) and four equivalent La(1) atoms to form OBa2La4 octahedra that share corners with six equivalent O(2)Ba2La4 octahedra, corners with sixteen equivalent O(1)Ba2La3Zn octahedra, and faces with eight equivalent O(1)Ba2La3Zn octahedra. The corner-sharing octahedral tilt angles range from 0-63°.