YNiGa3Ge crystallizes in the tetragonal I4mm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(2), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ge(2) atoms. In the second Y site, Y(2) is bonded to four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ge(1) atoms to form distorted YGa8Ge4 cuboctahedra that share corners with four equivalent Y(2)Ga8Ge4 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(2) and four equivalent Ga(3) atoms. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Y(1), four equivalent Ga(1), and one Ge(2) atom. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent Ge(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Ga(3), four equivalent Ga(2), and two equivalent Ge(2) atoms. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Y(2), two equivalent Ni(1), one Ga(2), four equivalent Ga(3), and two equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Y(2), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GeY4Ga8 cuboctahedra that share corners with four equivalent Ge(1)Y4Ga8 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ni(2), and four equivalent Ga(2) atoms.
YNiGa3Ge crystallizes in the tetragonal I4mm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 16-coordinate geometry to four equivalent Ni(2), four equivalent Ga(1), four equivalent Ga(2), and four equivalent Ge(2) atoms. All Y(1)-Ni(2) bond lengths are 3.36 Å. All Y(1)-Ga(1) bond lengths are 3.35 Å. All Y(1)-Ga(2) bond lengths are 3.21 Å. All Y(1)-Ge(2) bond lengths are 3.06 Å. In the second Y site, Y(2) is bonded to four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ge(1) atoms to form distorted YGa8Ge4 cuboctahedra that share corners with four equivalent Y(2)Ga8Ge4 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. All Y(2)-Ga(1) bond lengths are 3.12 Å. All Y(2)-Ga(3) bond lengths are 2.98 Å. All Y(2)-Ge(1) bond lengths are 2.98 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Ga(2) and four equivalent Ga(3) atoms. All Ni(1)-Ga(2) bond lengths are 2.47 Å. All Ni(1)-Ga(3) bond lengths are 2.49 Å. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to four equivalent Y(1), four equivalent Ga(1), and one Ge(2) atom. All Ni(2)-Ga(1) bond lengths are 2.35 Å. The Ni(2)-Ge(2) bond length is 2.27 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent Ge(1) atoms. Both Ga(1)-Ge(1) bond lengths are 3.02 Å. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Ga(3), four equivalent Ga(2), and two equivalent Ge(2) atoms. The Ga(2)-Ga(3) bond length is 2.62 Å. All Ga(2)-Ga(2) bond lengths are 2.98 Å. Both Ga(2)-Ge(2) bond lengths are 2.71 Å. In the third Ga site, Ga(3) is bonded in a 11-coordinate geometry to two equivalent Y(2), two equivalent Ni(1), one Ga(2), four equivalent Ga(3), and two equivalent Ge(1) atoms. All Ga(3)-Ga(3) bond lengths are 2.98 Å. Both Ga(3)-Ge(1) bond lengths are 3.08 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent Y(2), four equivalent Ga(1), and four equivalent Ga(3) atoms to form distorted GeY4Ga8 cuboctahedra that share corners with four equivalent Ge(1)Y4Ga8 cuboctahedra, faces with four equivalent Y(2)Ga8Ge4 cuboctahedra, and faces with four equivalent Ge(1)Y4Ga8 cuboctahedra. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ni(2), and four equivalent Ga(2) atoms.