Materials Data on PdSCl by Materials Project

Abstract

PdSCl is Copper structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PdSCl clusters. there are four inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to two S1- and two Cl1- atoms. Both Pd–S bond lengths are 2.30 Å. Both Pd–Cl bond lengths are 2.39 Å. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to two S1- and two Cl1- atoms. Both Pd–S bond lengths are 2.30 Å. Both Pd–Cl bond lengths are 2.39 Å. In the third Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to two S1- and two Cl1- atoms. Both Pd–S bond lengths are 2.30 Å. Both Pd–Cl bond lengths are 2.39 Å. In the fourth Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to two S1- and two Cl1- atoms. Both Pd–S bond lengths are 2.30 Å. Both Pd–Cl bond lengths are 2.39 Å. There are four inequivalent S1- sites. In the first S1- site, S1- is bonded in a 2-coordinate geometry to two Pd2+ and one S1- atom. The S–S bond length is 2.13 Å. In the second S1- site, S1- is bonded in a 3-coordinate geometry to two Pd2+ and one S1- atom. The S–S bond length is 2.13 Å. In the third S1- site, S1- is bonded in a 3-coordinate geometry to two Pd2+ and one S1- atom. In the fourth S1- site, S1- is bonded in a 2-coordinate geometry to two Pd2+ and one S1- atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Pd2+ atoms.