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Materials Data on Fe(PdSe)2 by Materials Project

Pd2FeSe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Fe is bonded in a 4-coordinate geometry to four equivalent Pd and four equivalent Se atoms. All Fe–Pd bond lengths are 2.86 Å. All Fe–Se bond lengths are 2.33 Å. Pd is bonded in a 2-coordinate geometry to two equivalent Fe, three equivalent Pd, and five equivalent Se atoms. There are one shorter (2.78 Å) and two longer (2.92 Å) Pd–Pd bond lengths. There are a spread of Pd–Se bond distances ranging from 2.51–2.93 Å. Se is bonded in a 4-coordinate geometry to two equivalent Fe and five equivalent Pd atoms.

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