Hf3(CuGa2)2 crystallizes in the monoclinic Cm space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to two equivalent Cu(4), three equivalent Cu(1), one Ga(2), one Ga(6), two equivalent Ga(8), and three equivalent Ga(3) atoms. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to one Cu(4), three equivalent Cu(2), one Ga(7), two equivalent Ga(1), two equivalent Ga(6), and three equivalent Ga(4) atoms. In the third Hf site, Hf(3) is bonded in a 12-coordinate geometry to three equivalent Cu(3), one Ga(1), one Ga(8), two equivalent Ga(2), two equivalent Ga(7), and three equivalent Ga(5) atoms. In the fourth Hf site, Hf(4) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(1), three equivalent Cu(4), one Ga(3), two equivalent Ga(4), and three equivalent Ga(6) atoms. In the fifth Hf site, Hf(5) is bonded in a 10-coordinate geometry to one Cu(3), two equivalent Cu(2), one Ga(4), two equivalent Ga(5), three equivalent Ga(1), and three equivalent Ga(7) atoms. In the sixth Hf site, Hf(6) is bonded in a 12-coordinate geometry to one Cu(1), two equivalent Cu(3), one Ga(5), two equivalent Ga(3), three equivalent Ga(2), and three equivalent Ga(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Hf(6), two equivalent Hf(4), three equivalent Hf(1), one Cu(4), one Ga(6), and two equivalent Ga(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(5), three equivalent Hf(2), one Ga(1), one Ga(7), and two equivalent Ga(4) atoms. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Hf(5), two equivalent Hf(6), three equivalent Hf(3), one Ga(2), one Ga(8), and two equivalent Ga(5) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to one Hf(2), two equivalent Hf(1), three equivalent Hf(4), one Cu(1), one Ga(3), and two equivalent Ga(6) atoms. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Hf(3), two equivalent Hf(2), three equivalent Hf(5), one Cu(2), one Ga(4), and two equivalent Ga(7) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Hf(3), three equivalent Hf(6), one Cu(3), one Ga(5), and two equivalent Ga(8) atoms. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(6), three equivalent Hf(1), one Cu(4), two equivalent Cu(1), and one Ga(8) atom. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to one Hf(5), two equivalent Hf(4), three equivalent Hf(2), two equivalent Cu(2), one Ga(1), and one Ga(6) atom. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Hf(6), two equivalent Hf(5), three equivalent Hf(3), two equivalent Cu(3), one Ga(2), and one Ga(7) atom. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Hf(2), three equivalent Hf(4), one Cu(1), two equivalent Cu(4), and one Ga(4) atom. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Hf(2), two equivalent Hf(3), three equivalent Hf(5), one Cu(2), one Ga(5), and two equivalent Ga(1) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to one Hf(3), two equivalent Hf(1), three equivalent Hf(6), one Cu(3), one Ga(3), and two equivalent Ga(2) atoms.
Hf3(CuGa2)2 crystallizes in the monoclinic Cm space group. There are six inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 12-coordinate geometry to two equivalent Cu(4), three equivalent Cu(1), one Ga(2), one Ga(6), two equivalent Ga(8), and three equivalent Ga(3) atoms. Both Hf(1)-Cu(4) bond lengths are 2.86 Å. There are two shorter (2.93 Å) and one longer (3.15 Å) Hf(1)-Cu(1) bond length. The Hf(1)-Ga(2) bond length is 2.95 Å. The Hf(1)-Ga(6) bond length is 3.09 Å. Both Hf(1)-Ga(8) bond lengths are 2.94 Å. There is one shorter (2.86 Å) and two longer (2.92 Å) Hf(1)-Ga(3) bond lengths. In the second Hf site, Hf(2) is bonded in a 12-coordinate geometry to one Cu(4), three equivalent Cu(2), one Ga(7), two equivalent Ga(1), two equivalent Ga(6), and three equivalent Ga(4) atoms. The Hf(2)-Cu(4) bond length is 2.91 Å. There are two shorter (2.97 Å) and one longer (3.10 Å) Hf(2)-Cu(2) bond length. The Hf(2)-Ga(7) bond length is 3.19 Å. Both Hf(2)-Ga(1) bond lengths are 2.89 Å. Both Hf(2)-Ga(6) bond lengths are 2.93 Å. There is one shorter (2.85 Å) and two longer (2.92 Å) Hf(2)-Ga(4) bond lengths. In the third Hf site, Hf(3) is bonded in a 12-coordinate geometry to three equivalent Cu(3), one Ga(1), one Ga(8), two equivalent Ga(2), two equivalent Ga(7), and three equivalent Ga(5) atoms. There are two shorter (2.98 Å) and one longer (3.10 Å) Hf(3)-Cu(3) bond length. The Hf(3)-Ga(1) bond length is 2.93 Å. The Hf(3)-Ga(8) bond length is 3.20 Å. Both Hf(3)-Ga(2) bond lengths are 2.90 Å. Both Hf(3)-Ga(7) bond lengths are 2.91 Å. There is one shorter (2.84 Å) and two longer (2.93 Å) Hf(3)-Ga(5) bond lengths. In the fourth Hf site, Hf(4) is bonded in a 12-coordinate geometry to one Cu(2), two equivalent Cu(1), three equivalent Cu(4), one Ga(3), two equivalent Ga(4), and three equivalent Ga(6) atoms. The Hf(4)-Cu(2) bond length is 2.94 Å. Both Hf(4)-Cu(1) bond lengths are 2.85 Å. There are two shorter (2.91 Å) and one longer (3.16 Å) Hf(4)-Cu(4) bond length. The Hf(4)-Ga(3) bond length is 3.06 Å. Both Hf(4)-Ga(4) bond lengths are 2.94 Å. There is one shorter (2.84 Å) and two longer (2.93 Å) Hf(4)-Ga(6) bond lengths. In the fifth Hf site, Hf(5) is bonded in a 10-coordinate geometry to one Cu(3), two equivalent Cu(2), one Ga(4), two equivalent Ga(5), three equivalent Ga(1), and three equivalent Ga(7) atoms. The Hf(5)-Cu(3) bond length is 2.93 Å. Both Hf(5)-Cu(2) bond lengths are 2.89 Å. The Hf(5)-Ga(4) bond length is 3.14 Å. Both Hf(5)-Ga(5) bond lengths are 2.94 Å. There are two shorter (2.86 Å) and one longer (3.26 Å) Hf(5)-Ga(1) bond length. There are two shorter (2.88 Å) and one longer (2.90 Å) Hf(5)-Ga(7) bond length. In the sixth Hf site, Hf(6) is bonded in a 12-coordinate geometry to one Cu(1), two equivalent Cu(3), one Ga(5), two equivalent Ga(3), three equivalent Ga(2), and three equivalent Ga(8) atoms. The Hf(6)-Cu(1) bond length is 2.95 Å. Both Hf(6)-Cu(3) bond lengths are 2.88 Å. The Hf(6)-Ga(5) bond length is 3.11 Å. Both Hf(6)-Ga(3) bond lengths are 2.98 Å. There are two shorter (2.85 Å) and one longer (3.25 Å) Hf(6)-Ga(2) bond length. There are two shorter (2.88 Å) and one longer (2.91 Å) Hf(6)-Ga(8) bond length. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Hf(6), two equivalent Hf(4), three equivalent Hf(1), one Cu(4), one Ga(6), and two equivalent Ga(3) atoms. The Cu(1)-Cu(4) bond length is 2.47 Å. The Cu(1)-Ga(6) bond length is 2.63 Å. Both Cu(1)-Ga(3) bond lengths are 2.42 Å. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(5), three equivalent Hf(2), one Ga(1), one Ga(7), and two equivalent Ga(4) atoms. The Cu(2)-Ga(1) bond length is 2.42 Å. The Cu(2)-Ga(7) bond length is 2.62 Å. Both Cu(2)-Ga(4) bond lengths are 2.41 Å. In the third Cu site, Cu(3) is bonded in a 10-coordinate geometry to one Hf(5), two equivalent Hf(6), three equivalent Hf(3), one Ga(2), one Ga(8), and two equivalent Ga(5) atoms. The Cu(3)-Ga(2) bond length is 2.43 Å. The Cu(3)-Ga(8) bond length is 2.61 Å. Both Cu(3)-Ga(5) bond lengths are 2.40 Å. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to one Hf(2), two equivalent Hf(1), three equivalent Hf(4), one Cu(1), one Ga(3), and two equivalent Ga(6) atoms. The Cu(4)-Ga(3) bond length is 2.62 Å. Both Cu(4)-Ga(6) bond lengths are 2.43 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Hf(3), two equivalent Hf(2), three equivalent Hf(5), one Cu(2), one Ga(4), and two equivalent Ga(7) atoms. The Ga(1)-Ga(4) bond length is 2.75 Å. Both Ga(1)-Ga(7) bond lengths are 2.51 Å. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Hf(3), three equivalent Hf(6), one Cu(3), one Ga(5), and two equivalent Ga(8) atoms. The Ga(2)-Ga(5) bond length is 2.76 Å. Both Ga(2)-Ga(8) bond lengths are 2.51 Å. In the third Ga site, Ga(3) is bonded in a 10-coordinate geometry to one Hf(4), two equivalent Hf(6), three equivalent Hf(1), one Cu(4), two equivalent Cu(1), and one Ga(8) atom. The Ga(3)-Ga(8) bond length is 2.54 Å. In the fourth Ga site, Ga(4) is bonded in a 10-coordinate geometry to one Hf(5), two equivalent Hf(4), three equivalent Hf(2), two equivalent Cu(2), one Ga(1), and one Ga(6) atom. The Ga(4)-Ga(6) bond length is 2.57 Å. In the fifth Ga site, Ga(5) is bonded in a 10-coordinate geometry to one Hf(6), two equivalent Hf(5), three equivalent Hf(3), two equivalent Cu(3), one Ga(2), and one Ga(7) atom. The Ga(5)-Ga(7) bond length is 2.53 Å. In the sixth Ga site, Ga(6) is bonded in a 10-coordinate geometry to one Hf(1), two equivalent Hf(2), three equivalent Hf(4), one Cu(1), two equivalent Cu(4), and one Ga(4) atom. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Hf(2), two equivalent Hf(3), three equivalent Hf(5), one Cu(2), one Ga(5), and two equivalent Ga(1) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to one Hf(3), two equivalent Hf(1), three equivalent Hf(6), one Cu(3), one Ga(3), and two equivalent Ga(2) atoms.