Materials Data on P2Pd3S8 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1204487· OSTI ID:1204487

The 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.

• 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: 1204487
• Report Number(s): mp-3006
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
P2Pd3S8
P-Pd-S