Hf2CoGa3 crystallizes in the triclinic P1 space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(7), one Ga(8), and one Ga(9) atom. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(6), one Ga(7), one Ga(8), and one Ga(9) atom. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(7), one Ga(8), and one Ga(9) atom. In the fourth Hf site, Hf(4) is bonded in a 9-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(6), one Ga(7), one Ga(8), and one Ga(9) atom. In the fifth Hf site, Hf(5) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(7), one Ga(8), one Ga(9), and two equivalent Ga(5) atoms. In the sixth Hf site, Hf(6) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(7), one Ga(8), one Ga(9), and two equivalent Ga(6) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Hf(5), one Hf(6), one Ga(1), one Ga(2), one Ga(5), one Ga(6), one Ga(8), and one Ga(9) atom. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Hf(5), one Hf(6), one Co(3), one Ga(3), one Ga(4), one Ga(5), one Ga(6), and one Ga(7) atom. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Ga(1), one Ga(4), one Ga(5), one Ga(6), and one Ga(7) atom. There are nine inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Co(3), and one Ga(9) atom. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(7), and one Ga(8) atom. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Ga(7), and one Ga(8) atom. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Co(3), and one Ga(9) atom. In the fifth Ga site, Ga(5) is bonded in a 11-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), two equivalent Hf(5), one Co(1), one Co(2), one Co(3), one Ga(7), one Ga(8), and one Ga(9) atom. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Hf(2), one Hf(4), two equivalent Hf(6), one Co(1), one Co(2), one Co(3), one Ga(7), one Ga(8), and one Ga(9) atom. In the seventh Ga site, Ga(7) is bonded to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Co(3), one Ga(2), one Ga(3), one Ga(5), and one Ga(6) atom to form face-sharing GaHf6Ga4Co2 cuboctahedra. In the eighth Ga site, Ga(8) is bonded in a 12-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(2), one Ga(3), one Ga(5), one Ga(6), and one Ga(9) atom. In the ninth Ga site, Ga(9) is bonded to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(1), one Ga(4), one Ga(5), one Ga(6), and one Ga(8) atom to form distorted face-sharing GaHf6Ga5Co cuboctahedra.
Hf2CoGa3 crystallizes in the triclinic P1 space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(7), one Ga(8), and one Ga(9) atom. The Hf(1)-Co(3) bond length is 3.24 Å. The Hf(1)-Ga(1) bond length is 2.79 Å. The Hf(1)-Ga(2) bond length is 2.78 Å. The Hf(1)-Ga(3) bond length is 2.85 Å. The Hf(1)-Ga(4) bond length is 2.80 Å. The Hf(1)-Ga(5) bond length is 2.70 Å. The Hf(1)-Ga(7) bond length is 3.03 Å. The Hf(1)-Ga(8) bond length is 3.22 Å. The Hf(1)-Ga(9) bond length is 2.95 Å. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(6), one Ga(7), one Ga(8), and one Ga(9) atom. The Hf(2)-Co(3) bond length is 2.85 Å. The Hf(2)-Ga(1) bond length is 2.70 Å. The Hf(2)-Ga(2) bond length is 2.91 Å. The Hf(2)-Ga(3) bond length is 2.82 Å. The Hf(2)-Ga(4) bond length is 2.74 Å. The Hf(2)-Ga(5) bond length is 3.37 Å. The Hf(2)-Ga(6) bond length is 2.83 Å. The Hf(2)-Ga(7) bond length is 3.31 Å. The Hf(2)-Ga(8) bond length is 2.95 Å. The Hf(2)-Ga(9) bond length is 3.15 Å. In the third Hf site, Hf(3) is bonded in a 9-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(5), one Ga(7), one Ga(8), and one Ga(9) atom. The Hf(3)-Co(3) bond length is 2.84 Å. The Hf(3)-Ga(1) bond length is 2.73 Å. The Hf(3)-Ga(2) bond length is 2.89 Å. The Hf(3)-Ga(3) bond length is 2.81 Å. The Hf(3)-Ga(4) bond length is 2.78 Å. The Hf(3)-Ga(5) bond length is 2.94 Å. The Hf(3)-Ga(7) bond length is 3.03 Å. The Hf(3)-Ga(8) bond length is 2.99 Å. The Hf(3)-Ga(9) bond length is 2.91 Å. In the fourth Hf site, Hf(4) is bonded in a 9-coordinate geometry to one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(6), one Ga(7), one Ga(8), and one Ga(9) atom. The Hf(4)-Co(3) bond length is 2.87 Å. The Hf(4)-Ga(1) bond length is 2.77 Å. The Hf(4)-Ga(2) bond length is 2.82 Å. The Hf(4)-Ga(3) bond length is 2.88 Å. The Hf(4)-Ga(4) bond length is 2.78 Å. The Hf(4)-Ga(6) bond length is 2.75 Å. The Hf(4)-Ga(7) bond length is 3.11 Å. The Hf(4)-Ga(8) bond length is 2.99 Å. The Hf(4)-Ga(9) bond length is 2.98 Å. In the fifth Hf site, Hf(5) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(7), one Ga(8), one Ga(9), and two equivalent Ga(5) atoms. The Hf(5)-Co(1) bond length is 2.78 Å. The Hf(5)-Co(2) bond length is 2.70 Å. The Hf(5)-Co(3) bond length is 3.43 Å. The Hf(5)-Ga(1) bond length is 2.79 Å. The Hf(5)-Ga(2) bond length is 2.79 Å. The Hf(5)-Ga(3) bond length is 2.77 Å. The Hf(5)-Ga(4) bond length is 2.73 Å. The Hf(5)-Ga(7) bond length is 3.22 Å. The Hf(5)-Ga(8) bond length is 3.43 Å. The Hf(5)-Ga(9) bond length is 3.28 Å. There is one shorter (3.06 Å) and one longer (3.27 Å) Hf(5)-Ga(5) bond length. In the sixth Hf site, Hf(6) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Co(3), one Ga(1), one Ga(2), one Ga(3), one Ga(4), one Ga(7), one Ga(8), one Ga(9), and two equivalent Ga(6) atoms. The Hf(6)-Co(1) bond length is 2.91 Å. The Hf(6)-Co(2) bond length is 2.74 Å. The Hf(6)-Co(3) bond length is 3.21 Å. The Hf(6)-Ga(1) bond length is 2.82 Å. The Hf(6)-Ga(2) bond length is 2.78 Å. The Hf(6)-Ga(3) bond length is 2.76 Å. The Hf(6)-Ga(4) bond length is 2.71 Å. The Hf(6)-Ga(7) bond length is 3.24 Å. The Hf(6)-Ga(8) bond length is 3.32 Å. The Hf(6)-Ga(9) bond length is 3.35 Å. There is one shorter (3.03 Å) and one longer (3.28 Å) Hf(6)-Ga(6) bond length. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Hf(5), one Hf(6), one Ga(1), one Ga(2), one Ga(5), one Ga(6), one Ga(8), and one Ga(9) atom. The Co(1)-Ga(1) bond length is 2.46 Å. The Co(1)-Ga(2) bond length is 2.46 Å. The Co(1)-Ga(5) bond length is 2.51 Å. The Co(1)-Ga(6) bond length is 2.49 Å. The Co(1)-Ga(8) bond length is 2.53 Å. The Co(1)-Ga(9) bond length is 2.56 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one Hf(5), one Hf(6), one Co(3), one Ga(3), one Ga(4), one Ga(5), one Ga(6), and one Ga(7) atom. The Co(2)-Co(3) bond length is 2.69 Å. The Co(2)-Ga(3) bond length is 2.37 Å. The Co(2)-Ga(4) bond length is 2.41 Å. The Co(2)-Ga(5) bond length is 2.43 Å. The Co(2)-Ga(6) bond length is 2.42 Å. The Co(2)-Ga(7) bond length is 2.67 Å. In the third Co site, Co(3) is bonded in a 12-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Ga(1), one Ga(4), one Ga(5), one Ga(6), and one Ga(7) atom. The Co(3)-Ga(1) bond length is 2.52 Å. The Co(3)-Ga(4) bond length is 2.43 Å. The Co(3)-Ga(5) bond length is 2.51 Å. The Co(3)-Ga(6) bond length is 2.55 Å. The Co(3)-Ga(7) bond length is 2.77 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Co(3), and one Ga(9) atom. The Ga(1)-Ga(9) bond length is 2.63 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(7), and one Ga(8) atom. The Ga(2)-Ga(7) bond length is 2.67 Å. The Ga(2)-Ga(8) bond length is 2.59 Å. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Ga(7), and one Ga(8) atom. The Ga(3)-Ga(7) bond length is 2.61 Å. The Ga(3)-Ga(8) bond length is 2.54 Å. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Co(3), and one Ga(9) atom. The Ga(4)-Ga(9) bond length is 2.64 Å. In the fifth Ga site, Ga(5) is bonded in a 11-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), two equivalent Hf(5), one Co(1), one Co(2), one Co(3), one Ga(7), one Ga(8), and one Ga(9) atom. The Ga(5)-Ga(7) bond length is 2.56 Å. The Ga(5)-Ga(8) bond length is 2.63 Å. The Ga(5)-Ga(9) bond length is 2.76 Å. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Hf(2), one Hf(4), two equivalent Hf(6), one Co(1), one Co(2), one Co(3), one Ga(7), one Ga(8), and one Ga(9) atom. The Ga(6)-Ga(7) bond length is 2.56 Å. The Ga(6)-Ga(8) bond length is 2.67 Å. The Ga(6)-Ga(9) bond length is 2.69 Å. In the seventh Ga site, Ga(7) is bonded to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(2), one Co(3), one Ga(2), one Ga(3), one Ga(5), and one Ga(6) atom to form face-sharing GaHf6Ga4Co2 cuboctahedra. In the eighth Ga site, Ga(8) is bonded in a 12-coordinate geometry to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(2), one Ga(3), one Ga(5), one Ga(6), and one Ga(9) atom. The Ga(8)-Ga(9) bond length is 2.82 Å. In the ninth Ga site, Ga(9) is bonded to one Hf(1), one Hf(2), one Hf(3), one Hf(4), one Hf(5), one Hf(6), one Co(1), one Ga(1), one Ga(4), one Ga(5), one Ga(6), and one Ga(8) atom to form distorted face-sharing GaHf6Ga5Co cuboctahedra.