ZrFe5CoGa6 is beta Uranium-derived structured and crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded in a 20-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Co(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Zr(1), two equivalent Fe(3), four equivalent Fe(2), one Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. Co(1) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(1), two equivalent Fe(4), four equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with ten equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, faces with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with six equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), and four equivalent Ga(1) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, edges with three equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Ga(2)Zr2Ga4Fe5Co cuboctahedra, faces with three equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with three equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra.
ZrFe5CoGa6 is beta Uranium-derived structured and crystallizes in the orthorhombic Imm2 space group. Zr(1) is bonded in a 20-coordinate geometry to one Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), one Co(1), four equivalent Ga(2), and eight equivalent Ga(1) atoms. The Zr(1)-Fe(1) bond length is 3.14 Å. Both Zr(1)-Fe(2) bond lengths are 3.03 Å. Both Zr(1)-Fe(3) bond lengths are 3.20 Å. Both Zr(1)-Fe(4) bond lengths are 3.14 Å. The Zr(1)-Co(1) bond length is 3.17 Å. All Zr(1)-Ga(2) bond lengths are 3.04 Å. There are four shorter (3.23 Å) and four longer (3.30 Å) Zr(1)-Ga(1) bond lengths. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Zr(1), two equivalent Fe(3), four equivalent Fe(2), one Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. Both Fe(1)-Fe(3) bond lengths are 2.78 Å. All Fe(1)-Fe(2) bond lengths are 3.02 Å. The Fe(1)-Co(1) bond length is 2.36 Å. Both Fe(1)-Ga(2) bond lengths are 2.75 Å. All Fe(1)-Ga(1) bond lengths are 2.65 Å. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(2), one Fe(3), one Fe(4), two equivalent Fe(1), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms. The Fe(2)-Fe(2) bond length is 2.28 Å. The Fe(2)-Fe(3) bond length is 2.63 Å. The Fe(2)-Fe(4) bond length is 2.70 Å. Both Fe(2)-Co(1) bond lengths are 3.00 Å. Both Fe(2)-Ga(2) bond lengths are 2.85 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Fe(2)-Ga(1) bond lengths. In the third Fe site, Fe(3) is bonded to two equivalent Zr(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe4 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. Both Fe(3)-Ga(2) bond lengths are 2.60 Å. All Fe(3)-Ga(1) bond lengths are 2.47 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent Zr(1), two equivalent Fe(2), two equivalent Co(1), two equivalent Ga(2), and four equivalent Ga(1) atoms to form distorted FeZr2Ga6Fe2Co2 cuboctahedra that share corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with six equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. Both Fe(4)-Co(1) bond lengths are 2.83 Å. Both Fe(4)-Ga(2) bond lengths are 2.55 Å. All Fe(4)-Ga(1) bond lengths are 2.43 Å. Co(1) is bonded in a 14-coordinate geometry to one Zr(1), one Fe(1), two equivalent Fe(4), four equivalent Fe(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. Both Co(1)-Ga(2) bond lengths are 2.72 Å. All Co(1)-Ga(1) bond lengths are 2.61 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with ten equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  an edgeedge with one Fe(4)Zr2Ga6Fe2Co2 cuboctahedra,  an edgeedge with one Fe(3)Zr2Ga6Fe4 cuboctahedra, edges with two equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, faces with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, faces with four equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, and faces with six equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra. There is one shorter (2.50 Å) and one longer (2.54 Å) Ga(1)-Ga(1) bond length. There is one shorter (2.53 Å) and one longer (2.54 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded to two equivalent Zr(1), one Fe(1), one Fe(3), one Fe(4), two equivalent Fe(2), one Co(1), and four equivalent Ga(1) atoms to form distorted GaZr2Ga4Fe5Co cuboctahedra that share corners with two equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, corners with two equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, corners with six equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, corners with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra, edges with three equivalent Ga(2)Zr2Ga4Fe5Co cuboctahedra, edges with four equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra,  a faceface with one Ga(2)Zr2Ga4Fe5Co cuboctahedra, faces with three equivalent Fe(4)Zr2Ga6Fe2Co2 cuboctahedra, faces with three equivalent Fe(3)Zr2Ga6Fe4 cuboctahedra, and faces with eight equivalent Ga(1)Zr2Ga4Fe5Co cuboctahedra.