Pd2FeSe2 crystallizes in the orthorhombic Ibam space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and four equivalent Se(1) atoms. Pd(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), three equivalent Pd(1), and five equivalent Se(1) atoms. Se(1) is bonded in a 7-coordinate geometry to two equivalent Fe(1) and five equivalent Pd(1) atoms.
Pd2FeSe2 crystallizes in the orthorhombic Ibam space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Pd(1) and four equivalent Se(1) atoms. All Fe(1)-Pd(1) bond lengths are 2.86 Å. All Fe(1)-Se(1) bond lengths are 2.33 Å. Pd(1) is bonded in a 10-coordinate geometry to two equivalent Fe(1), three equivalent Pd(1), and five equivalent Se(1) atoms. There is one shorter (2.78 Å) and two longer (2.92 Å) Pd(1)-Pd(1) bond lengths. There are a spread of Pd(1)-Se(1) bond distances ranging from 2.51-2.93 Å. Se(1) is bonded in a 7-coordinate geometry to two equivalent Fe(1) and five equivalent Pd(1) atoms.