Hf3(MnGa3)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(1), one Ga(2), three equivalent Ga(4), and four equivalent Ga(3) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to four equivalent Mn(1), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. Mn(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Mn(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms to form a mixture of distorted face, corner, and edge-sharing MnHf4Mn2Ga6 cuboctahedra. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Mn(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), four equivalent Mn(1), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Hf(2), four equivalent Hf(1), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to one Hf(2), three equivalent Hf(1), two equivalent Mn(1), and two equivalent Ga(3) atoms.
Hf3(MnGa3)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 11-coordinate geometry to two equivalent Mn(1), one Ga(1), one Ga(2), three equivalent Ga(4), and four equivalent Ga(3) atoms. Both Hf(1)-Mn(1) bond lengths are 3.04 Å. The Hf(1)-Ga(1) bond length is 2.86 Å. The Hf(1)-Ga(2) bond length is 2.99 Å. There are two shorter (2.88 Å) and one longer (2.90 Å) Hf(1)-Ga(4) bond length. There are two shorter (2.80 Å) and two longer (2.87 Å) Hf(1)-Ga(3) bond lengths. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to four equivalent Mn(1), one Ga(2), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(4) atoms. All Hf(2)-Mn(1) bond lengths are 3.11 Å. The Hf(2)-Ga(2) bond length is 2.76 Å. Both Hf(2)-Ga(1) bond lengths are 2.94 Å. Both Hf(2)-Ga(3) bond lengths are 2.77 Å. Both Hf(2)-Ga(4) bond lengths are 2.72 Å. Mn(1) is bonded to two equivalent Hf(1), two equivalent Hf(2), two equivalent Mn(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(4) atoms to form a mixture of distorted face, corner, and edge-sharing MnHf4Mn2Ga6 cuboctahedra. Both Mn(1)-Mn(1) bond lengths are 2.69 Å. Both Mn(1)-Ga(1) bond lengths are 2.63 Å. Both Mn(1)-Ga(2) bond lengths are 2.75 Å. Both Mn(1)-Ga(4) bond lengths are 2.52 Å. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), and four equivalent Mn(1) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(1), four equivalent Mn(1), and two equivalent Ga(3) atoms. Both Ga(2)-Ga(3) bond lengths are 2.78 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Hf(2), four equivalent Hf(1), one Ga(2), two equivalent Ga(3), and two equivalent Ga(4) atoms. There is one shorter (2.58 Å) and one longer (2.80 Å) Ga(3)-Ga(3) bond length. Both Ga(3)-Ga(4) bond lengths are 2.58 Å. In the fourth Ga site, Ga(4) is bonded in a 8-coordinate geometry to one Hf(2), three equivalent Hf(1), two equivalent Mn(1), and two equivalent Ga(3) atoms.