Hf9Re4S crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Re(1), one Re(3), two equivalent Re(2), and one S(1) atom. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Hf(2), two equivalent Hf(4), two equivalent Re(2), and one S(1) atom. In the third Hf site, Hf(3) is bonded in a single-bond geometry to one S(1) atom. In the fourth Hf site, Hf(4) is bonded in a distorted linear geometry to four equivalent Hf(2), one Re(1), and one Re(2) atom. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(4), two equivalent Re(2), and two equivalent Re(3) atoms. In the second Re site, Re(2) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(1), four equivalent Hf(2), one Re(1), and two equivalent Re(3) atoms. In the third Re site, Re(3) is bonded in a distorted linear geometry to two equivalent Hf(1), two equivalent Re(1), and four equivalent Re(2) atoms. S(1) is bonded in a 7-coordinate geometry to one Hf(3), two equivalent Hf(1), and four equivalent Hf(2) atoms.
Hf9Re4S crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 5-coordinate geometry to one Re(1), one Re(3), two equivalent Re(2), and one S(1) atom. The Hf(1)-Re(1) bond length is 2.79 Å. The Hf(1)-Re(3) bond length is 2.41 Å. Both Hf(1)-Re(2) bond lengths are 3.12 Å. The Hf(1)-S(1) bond length is 2.37 Å. In the second Hf site, Hf(2) is bonded in a 6-coordinate geometry to one Hf(2), two equivalent Hf(4), two equivalent Re(2), and one S(1) atom. The Hf(2)-Hf(2) bond length is 2.53 Å. There is one shorter (3.00 Å) and one longer (3.04 Å) Hf(2)-Hf(4) bond length. There is one shorter (2.95 Å) and one longer (3.06 Å) Hf(2)-Re(2) bond length. The Hf(2)-S(1) bond length is 3.13 Å. In the third Hf site, Hf(3) is bonded in a single-bond geometry to one S(1) atom. The Hf(3)-S(1) bond length is 2.53 Å. In the fourth Hf site, Hf(4) is bonded in a distorted linear geometry to four equivalent Hf(2), one Re(1), and one Re(2) atom. The Hf(4)-Re(1) bond length is 2.98 Å. The Hf(4)-Re(2) bond length is 2.77 Å. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(4), two equivalent Re(2), and two equivalent Re(3) atoms. Both Re(1)-Re(2) bond lengths are 2.82 Å. Both Re(1)-Re(3) bond lengths are 2.52 Å. In the second Re site, Re(2) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(1), four equivalent Hf(2), one Re(1), and two equivalent Re(3) atoms. Both Re(2)-Re(3) bond lengths are 3.00 Å. In the third Re site, Re(3) is bonded in a distorted linear geometry to two equivalent Hf(1), two equivalent Re(1), and four equivalent Re(2) atoms. S(1) is bonded in a 7-coordinate geometry to one Hf(3), two equivalent Hf(1), and four equivalent Hf(2) atoms.