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- Title
Single-crystal structure of pyrite-type HP-Pd<sub>0.84(1)</sub>Se<sub>2</sub> prepared by high-pressure/ high-temperature synthesis.
- Authors
Selb, Elisabeth; Tribus, Martina; Heymann, Gunter
- Abstract
At ambient conditions, PdSe2 dichalcogenides crystallize in the layered PdS2-type structure. If pressure is applied, the coordination number of palladium atoms increases and the three-dimensional pyrite-type structure with octahedral (PdSe6)4− coordination geometry is observed. For the first time, single crystals of a pyrite-type PdSe2 modification could be obtained and characterized, which were grown by multianvil high-pressure/high-temperature synthesis at 7.5 GPa and 1023 K. The crystals show the expected pyrite-type space group Pa3̅ (no. 205) and refinement results of a=613.26(3) pm, R1=0.0233, and wR2=0.0247 (all data) were received for HP-Pd0.84(1)Se2. The single-crystal data revealed significant defect formation on the palladium site with 16% vacancies, which is in line with the orthorhombic PdX2-type high-pressure polymorphs HP-Pd0.94(1)S2 and HP-Pd0.88(1)Se2. The tendency of vacancy formation on the palladium site could also be verified by EDX measurements.
- Subjects
SINGLE crystals; CRYSTAL structure; PALLADIUM compounds; HIGH pressure (Technology); HIGH temperature metallurgy
- Publication
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2018, Vol 73, Issue 12, p979
- ISSN
0932-0776
- Publication type
Article
- DOI
10.1515/znb-2018-0180