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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on P2Pd3S8 by Materials Project

Pd3(PS4)2 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pd3(PS4)2 sheet oriented in the (0, 0, 1) direction. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a distorted tetrahedral geometry to four S2- atoms. There are one shorter (1.91 Å) and three longer (2.13 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to two equivalent Pd2+ and one P5+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PPdS by Materials Project

PdPS crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two PdPS sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a square co-planar geometry to two equivalent P2- and two equivalent S2- atoms. There are one shorter (2.31 Å) and one longer (2.32 Å) Pd–P bond lengths. Both Pd–S bond lengths are 2.38 Å. P2- is bonded to two equivalent Pd4+, one P2-, and one S2- atom to form distorted corner-sharing PPPd2S tetrahedra. The P–P bond length is 2.24 Å. The P–S bond length is 2.13 Å. S2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd4+ and one P2- atom.

36 MATERIALS SCIENCE↗