Ba3Ho4O9 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ho site, Ho(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Ho site, Ho(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the fourth Ho site, Ho(4) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Ho(3), and one Ho(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ho(1), one Ho(2), and one Ho(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ho(2), and one Ho(4) atom.
Ba3Ho4O9 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. All Ba(1)-O(1) bond lengths are 2.77 Å. All Ba(1)-O(3) bond lengths are 2.79 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Ba(2)-O(2) bond lengths are 2.82 Å. All Ba(2)-O(3) bond lengths are 2.79 Å. In the third Ba site, Ba(3) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. All Ba(3)-O(3) bond lengths are 2.70 Å. There are four inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Ho(1)-O(1) bond lengths are 2.38 Å. All Ho(1)-O(2) bond lengths are 2.19 Å. In the second Ho site, Ho(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Ho(2)-O(2) bond lengths are 2.27 Å. All Ho(2)-O(3) bond lengths are 2.21 Å. In the third Ho site, Ho(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Ho(3)-O(1) bond lengths are 2.19 Å. All Ho(3)-O(2) bond lengths are 2.42 Å. In the fourth Ho site, Ho(4) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Ho(4)-O(1) bond lengths are 2.29 Å. All Ho(4)-O(3) bond lengths are 2.21 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ho(1), one Ho(3), and one Ho(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ho(1), one Ho(2), and one Ho(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ho(2), and one Ho(4) atom.