FeZn13 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded to two equivalent Zn(2), two equivalent Zn(5), four equivalent Zn(1), and four equivalent Zn(3) atoms to form FeZn12 cuboctahedra that share corners with two equivalent Fe(1)Zn12 cuboctahedra and faces with two equivalent Zn(5)Zn10Fe2 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to one Fe(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(3) atoms. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Fe(1), one Zn(4), one Zn(5), four equivalent Zn(1), and six equivalent Zn(3) atoms. In the third Zn site, Zn(3) is bonded in a 13-coordinate geometry to one Fe(1), one Zn(5), two equivalent Zn(3), two equivalent Zn(4), three equivalent Zn(2), and four equivalent Zn(1) atoms. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Zn(2), one Zn(4), four equivalent Zn(1), and four equivalent Zn(3) atoms. In the fifth Zn site, Zn(5) is bonded to two equivalent Fe(1), two equivalent Zn(2), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZn10Fe2 cuboctahedra that share corners with two equivalent Zn(5)Zn10Fe2 cuboctahedra and faces with two equivalent Fe(1)Zn12 cuboctahedra.
FeZn13 crystallizes in the monoclinic C2/m space group. Fe(1) is bonded to two equivalent Zn(2), two equivalent Zn(5), four equivalent Zn(1), and four equivalent Zn(3) atoms to form FeZn12 cuboctahedra that share corners with two equivalent Fe(1)Zn12 cuboctahedra and faces with two equivalent Zn(5)Zn10Fe2 cuboctahedra. Both Fe(1)-Zn(2) bond lengths are 2.75 Å. Both Fe(1)-Zn(5) bond lengths are 2.63 Å. All Fe(1)-Zn(1) bond lengths are 2.79 Å. All Fe(1)-Zn(3) bond lengths are 2.62 Å. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 12-coordinate geometry to one Fe(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and four equivalent Zn(3) atoms. The Zn(1)-Zn(5) bond length is 2.69 Å. There is one shorter (3.02 Å) and one longer (3.13 Å) Zn(1)-Zn(1) bond length. There is one shorter (2.68 Å) and one longer (2.84 Å) Zn(1)-Zn(2) bond length. There is one shorter (2.61 Å) and one longer (2.67 Å) Zn(1)-Zn(4) bond length. There are a spread of Zn(1)-Zn(3) bond distances ranging from 2.78-3.04 Å. In the second Zn site, Zn(2) is bonded in a 11-coordinate geometry to one Fe(1), one Zn(4), one Zn(5), four equivalent Zn(1), and six equivalent Zn(3) atoms. The Zn(2)-Zn(4) bond length is 2.54 Å. The Zn(2)-Zn(5) bond length is 2.69 Å. There are a spread of Zn(2)-Zn(3) bond distances ranging from 2.91-3.11 Å. In the third Zn site, Zn(3) is bonded in a 13-coordinate geometry to one Fe(1), one Zn(5), two equivalent Zn(3), two equivalent Zn(4), three equivalent Zn(2), and four equivalent Zn(1) atoms. The Zn(3)-Zn(5) bond length is 2.58 Å. There is one shorter (2.54 Å) and one longer (2.72 Å) Zn(3)-Zn(3) bond length. There is one shorter (2.62 Å) and one longer (2.83 Å) Zn(3)-Zn(4) bond length. In the fourth Zn site, Zn(4) is bonded in a 10-coordinate geometry to one Zn(2), one Zn(4), four equivalent Zn(1), and four equivalent Zn(3) atoms. The Zn(4)-Zn(4) bond length is 2.62 Å. In the fifth Zn site, Zn(5) is bonded to two equivalent Fe(1), two equivalent Zn(2), four equivalent Zn(1), and four equivalent Zn(3) atoms to form ZnZn10Fe2 cuboctahedra that share corners with two equivalent Zn(5)Zn10Fe2 cuboctahedra and faces with two equivalent Fe(1)Zn12 cuboctahedra.