Ce4Ag3Ge4O0.5 - chains of oxygen-centered OCe2Ce2/2] tetrahedra embedded in a CeAg3Ge4] intermetallic matrix

Heymann, Gunter; Riecken, Jan F.; Johrendt, Dirk; Rayaprol, Sudhindra; Poettgen, Rainer und Huppertz, Hubert (2013): Ce4Ag3Ge4O0.5 - chains of oxygen-centered OCe2Ce2/2] tetrahedra embedded in a CeAg3Ge4] intermetallic matrix. In: Dalton Transactions, Bd. 42, Nr. 42: S. 15207-15213

Abstract

The oxidation of an intermetallic phase under high-pressure/high-temperature conditions led to the synthesis of Ce4Ag3Ge4O0.5 exhibiting OCe2Ce2/2] tetrahedral chains, in which the oxygen atoms statistically occupy the tetrahedral centres. Starting from a 1 : 1 : 1 CeAgGe precursor (NdPtSb type), a multianvil high-pressure/high-temperature experiment at 11.5 GPa and 1250-1300 degrees C revealed Ce4Ag3Ge4O0.5, crystallizing in the space group Pnma with the following lattice parameters: a = 2087.3(4), b = 439.9(1), and c = 1113.8(2) pm. Magnetic measurements showed Curie-Weiss behavior above 100 K with an experimental magnetic moment of 2.42 mu B per Ce atom, close to the value for the free Ce3+ ion, clearly indicating trivalent cerium in Ce4Ag3Ge4O0.5. Full potential GGA+U band structure calculations resulted in metallic properties and a magnetic ground state with one unpaired 4f-electron per cerium in agreement with the experiments.

• Dokumententyp: Zeitschriftenartikel
• Publikationsform: Publisher's Version
• Fakultät: Chemie und Pharmazie
• Themengebiete: 500 Naturwissenschaften und Mathematik > 540 Chemie
• ISSN: 1477-9226
• Allianz-/Nationallizenz: Dieser Beitrag ist mit Zustimmung des Rechteinhabers aufgrund einer (DFG-geförderten) Allianz- bzw. Nationallizenz frei zugänglich.
• Sprache: Englisch