BaHf(BO3)2 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. Hf(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Hf(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Hf(1), and one B(2) atom.
BaHf(BO3)2 crystallizes in the trigonal R3c space group. Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Ba(1)-O(1) bond lengths are 2.83 Å. All Ba(1)-O(2) bond lengths are 2.83 Å. Hf(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. All Hf(1)-O(1) bond lengths are 2.08 Å. All Hf(1)-O(2) bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All B(1)-O(1) bond lengths are 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All B(2)-O(2) bond lengths are 1.38 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Hf(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(1), one Hf(1), and one B(2) atom.