ZrGa6(FeCo)3 crystallizes in the triclinic P-1 space group. Zr(1) is bonded to two equivalent Fe(2), two equivalent Fe(3), two equivalent Co(2), four equivalent Co(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted ZrGa8Fe4Co6 hexagonal bipyramids that share corners with six equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Fe(1)Ga6Co4 cuboctahedra, faces with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Co(1), two equivalent Co(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeGa6Co4 cuboctahedra that share corners with two equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. In the second Fe site, Fe(2) is bonded to two equivalent Zr(1), two equivalent Fe(3), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(1)Ga6Co4 cuboctahedra, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(1)Ga6Co4 cuboctahedra, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted CoZr2Ga6Fe3Co cuboctahedra that share corners with two equivalent Fe(1)Ga6Co4 cuboctahedra, corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with six equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra,  an edgeedge with one Fe(1)Ga6Co4 cuboctahedra,  an edgeedge with one Fe(2)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with three equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra,  an edgeedge with one Zr(1)Ga8Fe4Co6 hexagonal bipyramid,  a faceface with one Fe(1)Ga6Co4 cuboctahedra,  a faceface with one Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, and faces with three equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. In the second Co site, Co(2) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted CoZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids, faces with two equivalent Fe(1)Ga6Co4 cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), and two equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to one Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), two equivalent Co(1), and one Ga(2) atom. In the third Ga site, Ga(3) is bonded in a 7-coordinate geometry to one Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), and two equivalent Co(1) atoms.
ZrGa6(FeCo)3 crystallizes in the triclinic P-1 space group. Zr(1) is bonded to two equivalent Fe(2), two equivalent Fe(3), two equivalent Co(2), four equivalent Co(1), two equivalent Ga(2), two equivalent Ga(3), and four equivalent Ga(1) atoms to form distorted ZrGa8Fe4Co6 hexagonal bipyramids that share corners with six equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Fe(1)Ga6Co4 cuboctahedra, faces with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. Both Zr(1)-Fe(2) bond lengths are 3.23 Å. Both Zr(1)-Fe(3) bond lengths are 3.25 Å. Both Zr(1)-Co(2) bond lengths are 3.24 Å. There are two shorter (3.19 Å) and two longer (3.25 Å) Zr(1)-Co(1) bond lengths. Both Zr(1)-Ga(2) bond lengths are 2.80 Å. Both Zr(1)-Ga(3) bond lengths are 2.94 Å. There are two shorter (2.88 Å) and two longer (2.93 Å) Zr(1)-Ga(1) bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Co(1), two equivalent Co(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeGa6Co4 cuboctahedra that share corners with two equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. Both Fe(1)-Co(1) bond lengths are 2.48 Å. Both Fe(1)-Co(2) bond lengths are 2.49 Å. Both Fe(1)-Ga(1) bond lengths are 2.50 Å. Both Fe(1)-Ga(2) bond lengths are 2.60 Å. Both Fe(1)-Ga(3) bond lengths are 2.53 Å. In the second Fe site, Fe(2) is bonded to two equivalent Zr(1), two equivalent Fe(3), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(1)Ga6Co4 cuboctahedra, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. Both Fe(2)-Fe(3) bond lengths are 2.49 Å. Both Fe(2)-Co(1) bond lengths are 2.46 Å. Both Fe(2)-Ga(1) bond lengths are 2.53 Å. Both Fe(2)-Ga(2) bond lengths are 2.60 Å. Both Fe(2)-Ga(3) bond lengths are 2.57 Å. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Fe(1)Ga6Co4 cuboctahedra, corners with four equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(1)Ga6Co4 cuboctahedra, edges with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with four equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. Both Fe(3)-Co(1) bond lengths are 2.48 Å. Both Fe(3)-Ga(1) bond lengths are 2.53 Å. Both Fe(3)-Ga(2) bond lengths are 2.60 Å. Both Fe(3)-Ga(3) bond lengths are 2.57 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted CoZr2Ga6Fe3Co cuboctahedra that share corners with two equivalent Fe(1)Ga6Co4 cuboctahedra, corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with six equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra,  an edgeedge with one Fe(1)Ga6Co4 cuboctahedra,  an edgeedge with one Fe(2)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Co(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with three equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra,  an edgeedge with one Zr(1)Ga8Fe4Co6 hexagonal bipyramid,  a faceface with one Fe(1)Ga6Co4 cuboctahedra,  a faceface with one Co(1)Zr2Ga6Fe3Co cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, and faces with three equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. The Co(1)-Co(2) bond length is 2.54 Å. There is one shorter (2.53 Å) and one longer (2.54 Å) Co(1)-Ga(1) bond length. There is one shorter (2.59 Å) and one longer (2.62 Å) Co(1)-Ga(2) bond length. Both Co(1)-Ga(3) bond lengths are 2.53 Å. In the second Co site, Co(2) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms to form distorted CoZr2Ga6Fe2Co2 cuboctahedra that share corners with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(2)Zr2Ga6Fe2Co2 cuboctahedra, corners with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, edges with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids, faces with two equivalent Fe(1)Ga6Co4 cuboctahedra, faces with two equivalent Fe(2)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe2Co2 cuboctahedra, faces with four equivalent Co(1)Zr2Ga6Fe3Co cuboctahedra, and faces with two equivalent Zr(1)Ga8Fe4Co6 hexagonal bipyramids. Both Co(2)-Ga(1) bond lengths are 2.50 Å. Both Co(2)-Ga(2) bond lengths are 2.55 Å. Both Co(2)-Ga(3) bond lengths are 2.53 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), and two equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to one Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), two equivalent Co(1), and one Ga(2) atom. The Ga(2)-Ga(2) bond length is 2.74 Å. In the third Ga site, Ga(3) is bonded in a 7-coordinate geometry to one Zr(1), one Fe(1), one Fe(2), one Fe(3), one Co(2), and two equivalent Co(1) atoms.