ZrFeGe2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one Ge(4), one Ge(5), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and three equivalent Ge(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Ge(2), one Ge(3), one Ge(4), one Ge(5), and two equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Ge(1), two equivalent Ge(4), and two equivalent Ge(5) atoms to form distorted edge-sharing FeGe6 cuboctahedra. There are five inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Fe(1), and one Ge(2) atom. In the second Ge site, Ge(3) is bonded in a 7-coordinate geometry to four equivalent Zr(1), two equivalent Fe(1), and one Ge(3) atom. In the third Ge site, Ge(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fifth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(1), one Fe(2), two equivalent Fe(1), and one Ge(1) atom.
ZrFeGe2 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one Ge(4), one Ge(5), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. The Zr(1)-Ge(4) bond length is 2.74 Å. The Zr(1)-Ge(5) bond length is 2.82 Å. There is one shorter (2.88 Å) and one longer (2.93 Å) Zr(1)-Ge(1) bond length. There is one shorter (2.88 Å) and one longer (2.90 Å) Zr(1)-Ge(2) bond length. There is one shorter (2.89 Å) and one longer (3.00 Å) Zr(1)-Ge(3) bond length. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and three equivalent Ge(4) atoms. Both Zr(2)-Ge(1) bond lengths are 2.75 Å. Both Zr(2)-Ge(2) bond lengths are 2.79 Å. There are a spread of Zr(2)-Ge(4) bond distances ranging from 2.81-2.95 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Ge(2), one Ge(3), one Ge(4), one Ge(5), and two equivalent Ge(1) atoms. The Fe(1)-Ge(2) bond length is 2.43 Å. The Fe(1)-Ge(3) bond length is 2.42 Å. The Fe(1)-Ge(4) bond length is 2.53 Å. The Fe(1)-Ge(5) bond length is 2.54 Å. Both Fe(1)-Ge(1) bond lengths are 2.53 Å. In the second Fe site, Fe(2) is bonded to two equivalent Ge(1), two equivalent Ge(4), and two equivalent Ge(5) atoms to form distorted edge-sharing FeGe6 cuboctahedra. Both Fe(2)-Ge(1) bond lengths are 2.48 Å. Both Fe(2)-Ge(4) bond lengths are 2.53 Å. Both Fe(2)-Ge(5) bond lengths are 2.54 Å. There are five inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), two equivalent Fe(1), and one Ge(2) atom. The Ge(2)-Ge(2) bond length is 2.58 Å. In the second Ge site, Ge(3) is bonded in a 7-coordinate geometry to four equivalent Zr(1), two equivalent Fe(1), and one Ge(3) atom. The Ge(3)-Ge(3) bond length is 2.65 Å. In the third Ge site, Ge(4) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(2), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fourth Ge site, Ge(5) is bonded in a 6-coordinate geometry to two equivalent Zr(1), two equivalent Fe(1), and two equivalent Fe(2) atoms. In the fifth Ge site, Ge(1) is bonded in a 7-coordinate geometry to one Zr(2), two equivalent Zr(1), one Fe(2), two equivalent Fe(1), and one Ge(1) atom. The Ge(1)-Ge(1) bond length is 2.50 Å.