Materials Data on Tl2PdSe2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1203018· OSTI ID:1203018

The Materials Project

PdTl2Se2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pd2+ is bonded to two equivalent Tl1+ and four equivalent Se2- atoms to form edge-sharing PdTl2Se4 octahedra. Both Pd–Tl bond lengths are 3.00 Å. All Pd–Se bond lengths are 2.52 Å. Tl1+ is bonded in a 5-coordinate geometry to one Pd2+ and four equivalent Se2- atoms. There are two shorter (3.32 Å) and two longer (3.34 Å) Tl–Se bond lengths. Se2- is bonded in a 6-coordinate geometry to two equivalent Pd2+ and four equivalent Tl1+ atoms.

• 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: 1203018
• Report Number(s): mp-28954
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Tl2PdSe2
Pd-Se-Tl