MoNiGe crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Ni(1); four equivalent Ni(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 Ni(2), three equivalent Ni(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 equivalent Mo(1), two equivalent Ni(2), three equivalent Ni(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 Ni(1); four equivalent Ni(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 equivalent Mo(1), two equivalent Ni(2), three equivalent Ni(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Mo(1); three Mo(2,2); two equivalent Ni(2); one Ge(1); one Ge(3); and two equivalent Ge(2) atoms to form distorted NiNi2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with two equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with six equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, and faces with six equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra. In the second Ni site, Ni(2) is bonded to two Mo(2,2); four Mo(1,1); two equivalent Ni(1); two equivalent Ni(2); and two equivalent Ge(1) atoms to form distorted NiNi4Ge2Mo6 cuboctahedra that share corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with six equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with two equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with four equivalent Ge(1)Ni6Mo6 cuboctahedra, and faces with six equivalent Ni(1)Ni2Ge4Mo6 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 Ni(1); and four equivalent Ni(2) atoms to form GeNi6Mo6 cuboctahedra that share corners with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with eight equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with two equivalent Ge(1)Ni6Mo6 cuboctahedra, edges with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Mo(1,1); four Mo(2,2,2); two equivalent Ni(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeNi2Ge4Mo6 cuboctahedra that share corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with six equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with two equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with two equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, and faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra. In the third Ge site, Ge(3) is bonded to two Mo(1,1); four Mo(2,2); two equivalent Ni(1); and four equivalent Ge(2) atoms to form distorted GeNi2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with eight equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, edges with four equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra.
MoNiGe crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 16-coordinate geometry to one Mo(1); three Mo(2,2); three equivalent Ni(1); four equivalent Ni(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. The Mo(1)-Mo(1) bond length is 2.63 Å. There is one shorter (3.04 Å) and two longer (3.08 Å) Mo(1)-Mo(2,2) bond lengths. There is one shorter (2.91 Å) and two longer (2.97 Å) Mo(1)-Ni(1) bond lengths. There are two shorter (2.78 Å) and two longer (2.84 Å) Mo(1)-Ni(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 2.83 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 Ni(2), three equivalent Ni(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. The Mo(2)-Mo(2) bond length is 2.79 Å. Both Mo(2)-Ni(2) bond lengths are 2.73 Å. There is one shorter (2.90 Å) and two longer (2.92 Å) Mo(2)-Ni(1) bond lengths. The Mo(2)-Ge(1) bond length is 2.77 Å. Both Mo(2)-Ge(3) bond lengths are 2.88 Å. There are two shorter (2.84 Å) and two longer (2.85 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 equivalent Mo(1), two equivalent Ni(2), three equivalent Ni(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. There is one shorter (3.04 Å) and two longer (3.08 Å) Mo(2)-Mo(1) bond lengths. Both Mo(2)-Ni(2) bond lengths are 2.73 Å. There is one shorter (2.90 Å) and two longer (2.92 Å) Mo(2)-Ni(1) bond lengths. The Mo(2)-Ge(1) bond length is 2.77 Å. Both Mo(2)-Ge(3) bond lengths are 2.88 Å. There are two shorter (2.84 Å) and two longer (2.85 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 Ni(1); four equivalent Ni(2); one Ge(3); two equivalent Ge(1); and two equivalent Ge(2) atoms. Both Mo(1)-Mo(2) bond lengths are 3.08 Å. There is one shorter (2.91 Å) and two longer (2.97 Å) Mo(1)-Ni(1) bond lengths. There are two shorter (2.78 Å) and two longer (2.84 Å) Mo(1)-Ni(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 2.83 Å. In the fifth Mo site, Mo(2) is bonded in a 16-coordinate geometry to one Mo(2), three equivalent Mo(1), two equivalent Ni(2), three equivalent Ni(1), one Ge(1), two equivalent Ge(3), and four equivalent Ge(2) atoms. The Mo(2)-Mo(2) bond length is 2.79 Å. Both Mo(2)-Ni(2) bond lengths are 2.73 Å. There is one shorter (2.90 Å) and two longer (2.92 Å) Mo(2)-Ni(1) bond lengths. The Mo(2)-Ge(1) bond length is 2.77 Å. Both Mo(2)-Ge(3) bond lengths are 2.88 Å. There are two shorter (2.84 Å) and two longer (2.85 Å) Mo(2)-Ge(2) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Mo(1); three Mo(2,2); two equivalent Ni(2); one Ge(1); one Ge(3); and two equivalent Ge(2) atoms to form distorted NiNi2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with two equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with three equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with six equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, and faces with six equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra. Both Ni(1)-Ni(2) bond lengths are 2.46 Å. The Ni(1)-Ge(1) bond length is 2.39 Å. The Ni(1)-Ge(3) bond length is 2.34 Å. Both Ni(1)-Ge(2) bond lengths are 2.34 Å. In the second Ni site, Ni(2) is bonded to two Mo(2,2); four Mo(1,1); two equivalent Ni(1); two equivalent Ni(2); and two equivalent Ge(1) atoms to form distorted NiNi4Ge2Mo6 cuboctahedra that share corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, corners with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with six equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with two equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with four equivalent Ge(1)Ni6Mo6 cuboctahedra, and faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra. There is one shorter (2.43 Å) and one longer (2.62 Å) Ni(2)-Ni(2) bond length. There is one shorter (2.42 Å) and one longer (2.55 Å) Ni(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 Ni(1); and four equivalent Ni(2) atoms to form GeNi6Mo6 cuboctahedra that share corners with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with eight equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with two equivalent Ge(1)Ni6Mo6 cuboctahedra, edges with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra. In the second Ge site, Ge(2) is bonded to two Mo(1,1); four Mo(2,2,2); two equivalent Ni(1); two equivalent Ge(2); and two equivalent Ge(3) atoms to form distorted GeNi2Ge4Mo6 cuboctahedra that share corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with six equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, edges with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with two equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with two equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with four equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra, faces with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, and faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra. There is one shorter (2.48 Å) and one longer (2.57 Å) Ge(2)-Ge(2) bond length. There is one shorter (2.43 Å) and one longer (2.54 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 Ni(1); and four equivalent Ge(2) atoms to form distorted GeNi2Ge4Mo6 cuboctahedra that share corners with two equivalent Ge(1)Ni6Mo6 cuboctahedra, corners with four equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, corners with four equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, corners with eight equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, edges with two equivalent Ge(3)Ni2Ge4Mo6 cuboctahedra, edges with four equivalent Ge(1)Ni6Mo6 cuboctahedra, faces with four equivalent Ni(2)Ni4Ge2Mo6 cuboctahedra, faces with six equivalent Ni(1)Ni2Ge4Mo6 cuboctahedra, and faces with eight equivalent Ge(2)Ni2Ge4Mo6 cuboctahedra.