Hf11Ga10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Ga(2), four equivalent Ga(3), and four equivalent Ga(5) atoms. In the second Hf site, Hf(2) is bonded to one Ga(3), two equivalent Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms to form a mixture of distorted edge and face-sharing HfGa7 pentagonal bipyramids. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Ga(1), one Ga(2), one Ga(4), and four equivalent Ga(5) atoms. In the fourth Hf site, Hf(4) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Ga(3), two equivalent Ga(4), and two equivalent Ga(5) atoms. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent Hf(3) and four equivalent Hf(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent Hf(2), and four equivalent Hf(3) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Hf(2), two equivalent Hf(1), four equivalent Hf(4), two equivalent Ga(3), and two equivalent Ga(5) atoms. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), and four equivalent Hf(4) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(4), four equivalent Hf(3), one Ga(3), and one Ga(5) atom.
Hf11Ga10 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 9-coordinate geometry to one Ga(2), four equivalent Ga(3), and four equivalent Ga(5) atoms. The Hf(1)-Ga(2) bond length is 3.15 Å. All Hf(1)-Ga(3) bond lengths are 3.19 Å. All Hf(1)-Ga(5) bond lengths are 3.00 Å. In the second Hf site, Hf(2) is bonded to one Ga(3), two equivalent Ga(2), two equivalent Ga(4), and two equivalent Ga(5) atoms to form a mixture of distorted edge and face-sharing HfGa7 pentagonal bipyramids. The Hf(2)-Ga(3) bond length is 2.87 Å. Both Hf(2)-Ga(2) bond lengths are 3.00 Å. Both Hf(2)-Ga(4) bond lengths are 2.59 Å. Both Hf(2)-Ga(5) bond lengths are 3.07 Å. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Ga(1), one Ga(2), one Ga(4), and four equivalent Ga(5) atoms. The Hf(3)-Ga(1) bond length is 2.71 Å. The Hf(3)-Ga(2) bond length is 2.83 Å. The Hf(3)-Ga(4) bond length is 2.97 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Hf(3)-Ga(5) bond lengths. In the fourth Hf site, Hf(4) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Ga(3), two equivalent Ga(4), and two equivalent Ga(5) atoms. The Hf(4)-Ga(1) bond length is 2.75 Å. Both Hf(4)-Ga(3) bond lengths are 2.92 Å. Both Hf(4)-Ga(4) bond lengths are 2.72 Å. Both Hf(4)-Ga(5) bond lengths are 2.69 Å. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to four equivalent Hf(3) and four equivalent Hf(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(1), four equivalent Hf(2), and four equivalent Hf(3) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to one Hf(2), two equivalent Hf(1), four equivalent Hf(4), two equivalent Ga(3), and two equivalent Ga(5) atoms. Both Ga(3)-Ga(3) bond lengths are 2.61 Å. Both Ga(3)-Ga(5) bond lengths are 2.79 Å. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), and four equivalent Hf(4) atoms. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Hf(1), one Hf(2), two equivalent Hf(4), four equivalent Hf(3), one Ga(3), and one Ga(5) atom. The Ga(5)-Ga(5) bond length is 2.58 Å.