Materials Data on Bi2Pd3S2 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1267845· OSTI ID:1267845

The Materials Project

Pd3Bi2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a 2-coordinate geometry to four Bi and two equivalent S atoms. There are two shorter (2.88 Å) and two longer (3.11 Å) Pd–Bi bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted hexagonal planar geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing BiPd6S2 hexagonal bipyramids. Both Bi–S bond lengths are 2.97 Å. S is bonded in a distorted rectangular see-saw-like geometry to three equivalent Pd and one Bi 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: 1267845
• Report Number(s): mp-554304
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Bi2Pd3S2
Bi-Pd-S