ScHf2Ga3 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one Ga(2), two equivalent Ga(10), and four equivalent Ga(7) atoms. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Ga(3), two equivalent Ga(11), and four equivalent Ga(8) atoms. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Ga(12), and four equivalent Ga(9) atoms. In the fourth Sc site, Sc(4) is bonded in a 7-coordinate geometry to one Ga(4), two equivalent Ga(7), and four equivalent Ga(10) atoms. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Ga(5), two equivalent Ga(8), and four equivalent Ga(11) atoms. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one Ga(6), two equivalent Ga(9), and four equivalent Ga(12) atoms. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Ga(9), two equivalent Ga(4), and four equivalent Ga(1) atoms. In the fourth Hf site, Hf(4) is bonded in a 7-coordinate geometry to one Ga(7), two equivalent Ga(5), and four equivalent Ga(2) atoms. In the fifth Hf site, Hf(5) is bonded in a 7-coordinate geometry to one Ga(8), two equivalent Ga(6), and four equivalent Ga(3) atoms. In the sixth Hf site, Hf(6) is bonded in a 7-coordinate geometry to one Ga(10), two equivalent Ga(1), and four equivalent Ga(4) atoms. In the seventh Hf site, Hf(7) is bonded in a 7-coordinate geometry to one Ga(11), two equivalent Ga(2), and four equivalent Ga(5) atoms. In the eighth Hf site, Hf(8) is bonded in a 7-coordinate geometry to one Ga(12), two equivalent Ga(3), and four equivalent Ga(6) atoms. There are twelve inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(3), two equivalent Hf(6), four equivalent Hf(3), and two equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Hf(7), four equivalent Hf(4), and two equivalent Ga(5) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Hf(8), four equivalent Hf(5), and two equivalent Ga(6) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to one Sc(4), two equivalent Hf(3), four equivalent Hf(6), and two equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(4), four equivalent Hf(7), and two equivalent Ga(2) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(5), four equivalent Hf(8), and two equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 9-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), one Hf(4), and two equivalent Ga(10) atoms. In the eighth Ga site, Ga(8) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Hf(5), two equivalent Hf(1), and two equivalent Ga(11) atoms. In the ninth Ga site, Ga(9) is bonded in a 9-coordinate geometry to four equivalent Sc(3), one Hf(3), two equivalent Hf(2), and two equivalent Ga(12) atoms. In the tenth Ga site, Ga(10) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), one Hf(6), and two equivalent Ga(7) atoms. In the eleventh Ga site, Ga(11) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Hf(7), four equivalent Hf(1), and two equivalent Ga(8) atoms. In the twelfth Ga site, Ga(12) is bonded in a 9-coordinate geometry to two equivalent Sc(3), one Hf(8), four equivalent Hf(2), and two equivalent Ga(9) atoms.
ScHf2Ga3 crystallizes in the orthorhombic Imm2 space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 7-coordinate geometry to one Ga(2), two equivalent Ga(10), and four equivalent Ga(7) atoms. The Sc(1)-Ga(2) bond length is 2.77 Å. Both Sc(1)-Ga(10) bond lengths are 3.00 Å. All Sc(1)-Ga(7) bond lengths are 2.82 Å. In the second Sc site, Sc(2) is bonded in a 7-coordinate geometry to one Ga(3), two equivalent Ga(11), and four equivalent Ga(8) atoms. The Sc(2)-Ga(3) bond length is 2.79 Å. Both Sc(2)-Ga(11) bond lengths are 2.99 Å. All Sc(2)-Ga(8) bond lengths are 2.82 Å. In the third Sc site, Sc(3) is bonded in a 7-coordinate geometry to one Ga(1), two equivalent Ga(12), and four equivalent Ga(9) atoms. The Sc(3)-Ga(1) bond length is 2.78 Å. Both Sc(3)-Ga(12) bond lengths are 2.99 Å. All Sc(3)-Ga(9) bond lengths are 2.83 Å. In the fourth Sc site, Sc(4) is bonded in a 7-coordinate geometry to one Ga(4), two equivalent Ga(7), and four equivalent Ga(10) atoms. The Sc(4)-Ga(4) bond length is 2.76 Å. Both Sc(4)-Ga(7) bond lengths are 3.01 Å. All Sc(4)-Ga(10) bond lengths are 2.83 Å. There are eight inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 7-coordinate geometry to one Ga(5), two equivalent Ga(8), and four equivalent Ga(11) atoms. The Hf(1)-Ga(5) bond length is 2.76 Å. Both Hf(1)-Ga(8) bond lengths are 3.00 Å. All Hf(1)-Ga(11) bond lengths are 2.83 Å. In the second Hf site, Hf(2) is bonded in a 7-coordinate geometry to one Ga(6), two equivalent Ga(9), and four equivalent Ga(12) atoms. The Hf(2)-Ga(6) bond length is 2.76 Å. Both Hf(2)-Ga(9) bond lengths are 2.99 Å. All Hf(2)-Ga(12) bond lengths are 2.83 Å. In the third Hf site, Hf(3) is bonded in a 7-coordinate geometry to one Ga(9), two equivalent Ga(4), and four equivalent Ga(1) atoms. The Hf(3)-Ga(9) bond length is 2.86 Å. Both Hf(3)-Ga(4) bond lengths are 2.98 Å. All Hf(3)-Ga(1) bond lengths are 2.81 Å. In the fourth Hf site, Hf(4) is bonded in a 7-coordinate geometry to one Ga(7), two equivalent Ga(5), and four equivalent Ga(2) atoms. The Hf(4)-Ga(7) bond length is 2.84 Å. Both Hf(4)-Ga(5) bond lengths are 2.97 Å. All Hf(4)-Ga(2) bond lengths are 2.81 Å. In the fifth Hf site, Hf(5) is bonded in a 7-coordinate geometry to one Ga(8), two equivalent Ga(6), and four equivalent Ga(3) atoms. The Hf(5)-Ga(8) bond length is 2.86 Å. Both Hf(5)-Ga(6) bond lengths are 2.97 Å. All Hf(5)-Ga(3) bond lengths are 2.81 Å. In the sixth Hf site, Hf(6) is bonded in a 7-coordinate geometry to one Ga(10), two equivalent Ga(1), and four equivalent Ga(4) atoms. The Hf(6)-Ga(10) bond length is 2.84 Å. Both Hf(6)-Ga(1) bond lengths are 2.99 Å. All Hf(6)-Ga(4) bond lengths are 2.81 Å. In the seventh Hf site, Hf(7) is bonded in a 7-coordinate geometry to one Ga(11), two equivalent Ga(2), and four equivalent Ga(5) atoms. The Hf(7)-Ga(11) bond length is 2.79 Å. Both Hf(7)-Ga(2) bond lengths are 3.01 Å. All Hf(7)-Ga(5) bond lengths are 2.82 Å. In the eighth Hf site, Hf(8) is bonded in a 7-coordinate geometry to one Ga(12), two equivalent Ga(3), and four equivalent Ga(6) atoms. The Hf(8)-Ga(12) bond length is 2.79 Å. Both Hf(8)-Ga(3) bond lengths are 3.01 Å. All Hf(8)-Ga(6) bond lengths are 2.82 Å. There are twelve inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to one Sc(3), two equivalent Hf(6), four equivalent Hf(3), and two equivalent Ga(4) atoms. Both Ga(1)-Ga(4) bond lengths are 2.58 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Hf(7), four equivalent Hf(4), and two equivalent Ga(5) atoms. Both Ga(2)-Ga(5) bond lengths are 2.56 Å. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to one Sc(2), two equivalent Hf(8), four equivalent Hf(5), and two equivalent Ga(6) atoms. Both Ga(3)-Ga(6) bond lengths are 2.56 Å. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to one Sc(4), two equivalent Hf(3), four equivalent Hf(6), and two equivalent Ga(1) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to one Hf(1), two equivalent Hf(4), four equivalent Hf(7), and two equivalent Ga(2) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to one Hf(2), two equivalent Hf(5), four equivalent Hf(8), and two equivalent Ga(3) atoms. In the seventh Ga site, Ga(7) is bonded in a 9-coordinate geometry to two equivalent Sc(4), four equivalent Sc(1), one Hf(4), and two equivalent Ga(10) atoms. Both Ga(7)-Ga(10) bond lengths are 2.57 Å. In the eighth Ga site, Ga(8) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Hf(5), two equivalent Hf(1), and two equivalent Ga(11) atoms. Both Ga(8)-Ga(11) bond lengths are 2.56 Å. In the ninth Ga site, Ga(9) is bonded in a 9-coordinate geometry to four equivalent Sc(3), one Hf(3), two equivalent Hf(2), and two equivalent Ga(12) atoms. Both Ga(9)-Ga(12) bond lengths are 2.56 Å. In the tenth Ga site, Ga(10) is bonded in a 9-coordinate geometry to two equivalent Sc(1), four equivalent Sc(4), one Hf(6), and two equivalent Ga(7) atoms. In the eleventh Ga site, Ga(11) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Hf(7), four equivalent Hf(1), and two equivalent Ga(8) atoms. In the twelfth Ga site, Ga(12) is bonded in a 9-coordinate geometry to two equivalent Sc(3), one Hf(8), four equivalent Hf(2), and two equivalent Ga(9) atoms.