HfBi2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to one Bi(2), one Bi(3), two equivalent Bi(1), and four equivalent Bi(4) atoms. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Bi(1), two equivalent Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one Hf(2) and two equivalent Hf(1) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Hf(2) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Hf(2) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms.
HfBi2 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to one Bi(2), one Bi(3), two equivalent Bi(1), and four equivalent Bi(4) atoms. The Hf(1)-Bi(2) bond length is 3.08 Å. The Hf(1)-Bi(3) bond length is 3.22 Å. Both Hf(1)-Bi(1) bond lengths are 3.08 Å. There are two shorter (3.07 Å) and two longer (3.13 Å) Hf(1)-Bi(4) bond lengths. In the second Hf site, Hf(2) is bonded in a 8-coordinate geometry to one Bi(1), two equivalent Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. The Hf(2)-Bi(1) bond length is 3.15 Å. Both Hf(2)-Bi(2) bond lengths are 3.09 Å. Both Hf(2)-Bi(4) bond lengths are 3.05 Å. There are two shorter (3.05 Å) and one longer (3.06 Å) Hf(2)-Bi(3) bond length. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one Hf(2) and two equivalent Hf(1) atoms. In the second Bi site, Bi(2) is bonded in a 3-coordinate geometry to one Hf(1) and two equivalent Hf(2) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Hf(2) atoms. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to two equivalent Hf(2) and four equivalent Hf(1) atoms.