Materials Data on PPdSe by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205521· OSTI ID:1205521

The 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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1205521
• Report Number(s): mp-3123
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PPdSe
P-Pd-Se