Materials Data on PPdSe by Materials Project

PdPSe crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two PdPSe sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a rectangular see-saw-like geometry to two equivalent P2- and two equivalent Se2- atoms. Both Pd–P bond lengths are 2.32 Å. There are one shorter (2.49 Å) and one longer (2.50 Å) Pd–Se bond lengths. P2- is bonded to two equivalent Pd4+, one P2-, and one Se2- atom to form corner-sharing PPPd2Se tetrahedra. The P–P bond length is 2.22 Å. The P–Se bond length is 2.31 Å. Se2- is bonded in a trigonal non-coplanar geometry to two equivalent Pd4+ and one P2- atom.

PdPSe晶体属于斜方晶系（orthorhombic）的Pbcn空间群。该晶体结构为二维结构，包含两片沿(0, 0, 1)方向取向的PdPSe原子层。Pd⁴+以矩形跷跷板型配位环境与两个等价的P²-和两个等价的Se²-原子成键。Pd-P键长均为2.32 Å；Pd-Se键长存在一组较短的2.49 Å与一组较长的2.50 Å。P²-与两个等价的Pd⁴+、一个P²-及一个Se²-原子成键，形成共角的PPPd₂Se四面体。其中P-P键长为2.22 Å，P-Se键长为2.31 Å。Se²-以三角非共面配位环境与两个等价的Pd⁴+及一个P²-原子成键。