MoCoGe crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1), three equivalent Mo(2), three equivalent Co(1), four equivalent Co(2), one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the second Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2), three equivalent Mo(1), two equivalent Co(2), three equivalent Co(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. In the third Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2); three Mo(1,1); two equivalent Co(2); three equivalent Co(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. In the fourth Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Co(1); four equivalent Co(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. In the fifth Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2); three Mo(1,1); two equivalent Co(2); three equivalent Co(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. In the sixth Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Co(1); four equivalent Co(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Mo(1), three equivalent Mo(2), two equivalent Co(2), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms to form distorted CoCo2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with two equivalent Ge(1)Co6Mo6 cuboctahedra, corners with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Co(1)Co2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(2)Co4Ge2Mo6 cuboctahedra, and faces with six equivalent Ge(2)Co2Ge4Mo6 cuboctahedra. In the second Co site, Co(2) is bonded to two Mo(2,2); four Mo(1,1,1); two equivalent Co(1); two equivalent Co(2); and two equivalent Ge(1) atoms to form distorted CoCo4Ge2Mo6 cuboctahedra that share corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with six equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with two equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with four equivalent Ge(1)Co6Mo6 cuboctahedra, and faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two Mo(2,2); four Mo(1,1); two equivalent Co(1); and four equivalent Co(2) atoms to form distorted GeCo6Mo6 cuboctahedra that share corners with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Co6Mo6 cuboctahedra, corners with eight equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with two equivalent Ge(1)Co6Mo6 cuboctahedra, edges with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, and faces with eight equivalent Co(2)Co4Ge2Mo6 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Mo(1,1); four Mo(2,2,2); two equivalent Co(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeCo2Ge4Mo6 cuboctahedra that share corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Co6Mo6 cuboctahedra, corners with six equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with two equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with two equivalent Ge(1)Co6Mo6 cuboctahedra, faces with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, and faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra. In the third Ge site, Ge(3) is bonded to two Mo(1,1); four Mo(2,2); two equivalent Co(1); and four equivalent Ge(2) atoms to form distorted GeCo2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(1)Co6Mo6 cuboctahedra, corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with eight equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, edges with four equivalent Ge(1)Co6Mo6 cuboctahedra, faces with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ge(2)Co2Ge4Mo6 cuboctahedra.
MoCoGe crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1), three equivalent Mo(2), three equivalent Co(1), four equivalent Co(2), one Ge(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. The Mo(1)-Mo(1) bond length is 2.66 Å. There is one shorter (2.97 Å) and two longer (3.06 Å) Mo(1)-Mo(2) bond lengths. There is one shorter (2.88 Å) and two longer (2.95 Å) Mo(1)-Co(1) bond lengths. There are two shorter (2.73 Å) and two longer (2.88 Å) Mo(1)-Co(2) bond lengths. The Mo(1)-Ge(3) bond length is 2.80 Å. Both Mo(1)-Ge(1) bond lengths are 2.84 Å. Both Mo(1)-Ge(2) bond lengths are 2.82 Å. In the second Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2), three equivalent Mo(1), two equivalent Co(2), three equivalent Co(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. The Mo(2)-Mo(2) bond length is 2.87 Å. Both Mo(2)-Co(2) bond lengths are 2.69 Å. There are two shorter (2.88 Å) and one longer (2.92 Å) Mo(2)-Co(1) bond length. The Mo(2)-Ge(1) bond length is 2.78 Å. Both Mo(2)-Ge(3) bond lengths are 2.89 Å. There are two shorter (2.83 Å) and two longer (2.88 Å) Mo(2)-Ge(2) bond lengths. In the third Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2); three Mo(1,1); two equivalent Co(2); three equivalent Co(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. There is one shorter (2.97 Å) and two longer (3.06 Å) Mo(2)-Mo(1,1) bond lengths. Both Mo(2)-Co(2) bond lengths are 2.69 Å. There are two shorter (2.88 Å) and one longer (2.92 Å) Mo(2)-Co(1) bond length. The Mo(2)-Ge(1) bond length is 2.78 Å. Both Mo(2)-Ge(3) bond lengths are 2.89 Å. There are two shorter (2.83 Å) and two longer (2.88 Å) Mo(2)-Ge(2) bond lengths. In the fourth Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Co(1); four equivalent Co(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. Both Mo(1)-Mo(2) bond lengths are 3.06 Å. There is one shorter (2.88 Å) and two longer (2.95 Å) Mo(1)-Co(1) bond lengths. There are two shorter (2.73 Å) and two longer (2.88 Å) Mo(1)-Co(2) bond lengths. The Mo(1)-Ge(3) bond length is 2.80 Å. Both Mo(1)-Ge(1) bond lengths are 2.84 Å. Both Mo(1)-Ge(2) bond lengths are 2.82 Å. In the fifth Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2); three Mo(1,1); two equivalent Co(2); three equivalent Co(1); one Ge(1); two equivalent Ge(3); and four equivalent Ge(2) atoms. The Mo(2)-Mo(2) bond length is 2.87 Å. The Mo(2)-Mo(1) bond length is 2.97 Å. Both Mo(2)-Co(2) bond lengths are 2.69 Å. There are two shorter (2.88 Å) and one longer (2.92 Å) Mo(2)-Co(1) bond length. The Mo(2)-Ge(1) bond length is 2.78 Å. Both Mo(2)-Ge(3) bond lengths are 2.89 Å. There are two shorter (2.83 Å) and two longer (2.88 Å) Mo(2)-Ge(2) bond lengths. In the sixth Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Co(1); four equivalent Co(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. The Mo(1)-Mo(1) bond length is 2.66 Å. There is one shorter (2.88 Å) and two longer (2.95 Å) Mo(1)-Co(1) bond lengths. There are two shorter (2.73 Å) and two longer (2.88 Å) Mo(1)-Co(2) bond lengths. The Mo(1)-Ge(3) bond length is 2.80 Å. Both Mo(1)-Ge(1) bond lengths are 2.84 Å. Both Mo(1)-Ge(2) bond lengths are 2.82 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent Mo(1), three equivalent Mo(2), two equivalent Co(2), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms to form distorted CoCo2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with two equivalent Ge(1)Co6Mo6 cuboctahedra, corners with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Co(1)Co2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(1)Co6Mo6 cuboctahedra, faces with six equivalent Co(2)Co4Ge2Mo6 cuboctahedra, and faces with six equivalent Ge(2)Co2Ge4Mo6 cuboctahedra. Both Co(1)-Co(2) bond lengths are 2.47 Å. The Co(1)-Ge(1) bond length is 2.38 Å. The Co(1)-Ge(3) bond length is 2.32 Å. Both Co(1)-Ge(2) bond lengths are 2.34 Å. In the second Co site, Co(2) is bonded to two Mo(2,2); four Mo(1,1,1); two equivalent Co(1); two equivalent Co(2); and two equivalent Ge(1) atoms to form distorted CoCo4Ge2Mo6 cuboctahedra that share corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with six equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with two equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with four equivalent Ge(1)Co6Mo6 cuboctahedra, and faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra. There is one shorter (2.43 Å) and one longer (2.58 Å) Co(2)-Co(2) bond length. There is one shorter (2.40 Å) and one longer (2.53 Å) Co(2)-Ge(1) bond length. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two Mo(2,2); four Mo(1,1); two equivalent Co(1); and four equivalent Co(2) atoms to form distorted GeCo6Mo6 cuboctahedra that share corners with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Co6Mo6 cuboctahedra, corners with eight equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with two equivalent Ge(1)Co6Mo6 cuboctahedra, edges with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, and faces with eight equivalent Co(2)Co4Ge2Mo6 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Mo(1,1); four Mo(2,2,2); two equivalent Co(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeCo2Ge4Mo6 cuboctahedra that share corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Co6Mo6 cuboctahedra, corners with six equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, edges with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with two equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with two equivalent Ge(1)Co6Mo6 cuboctahedra, faces with four equivalent Ge(2)Co2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, and faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra. There is one shorter (2.48 Å) and one longer (2.54 Å) Ge(2)-Ge(2) bond length. There is one shorter (2.42 Å) and one longer (2.52 Å) Ge(2)-Ge(3) bond length. In the third Ge site, Ge(3) is bonded to two Mo(1,1); four Mo(2,2); two equivalent Co(1); and four equivalent Ge(2) atoms to form distorted GeCo2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(1)Co6Mo6 cuboctahedra, corners with four equivalent Co(1)Co2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, corners with eight equivalent Co(2)Co4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(3)Co2Ge4Mo6 cuboctahedra, edges with four equivalent Ge(1)Co6Mo6 cuboctahedra, faces with four equivalent Co(2)Co4Ge2Mo6 cuboctahedra, faces with six equivalent Co(1)Co2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ge(2)Co2Ge4Mo6 cuboctahedra.