Yb8Ge3Sb5, a Metallic Mixed-Valent Zintl Phase Containing the Polymeric 1∞[Ge 34-] Anions

Journal of the American Chemical Society

Volumn 126, Issue 14, 2004, Pages 4474-4475

  Salvador, James R ^a   Bilc, Daniel ^a   Mahanti, S D ^a   Hogan, Tim ^a,b   Guo, Fu ^a,b   Kanatzidis, Mercouri G ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b Michigan State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; ANTIMONY DERIVATIVE; COORDINATION COMPOUND; GERMANIUM DERIVATIVE; METAL; POLYMER; YTTERBIUM;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; MAGNETISM; OXIDATION REDUCTION POTENTIAL; PHYSICAL PHASE; POLYMERIZATION; SURFACE CHARGE; TEMPERATURE;

EID: 1842688364     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0395487     Document Type: Article

References (25)

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16. int = 4.51%), and 32 parameters. X-ray diffraction data were collected at 173 K on a Bruker SMART CCD diffractometer, graphite-monochromatized Mo Kα radiation (0.71073 Å). An emperical absorption correction was applied using SADABS. The structure was solved by direct methods and refined with the SHELXL suite of programs.
17. The Wyckoff multiplicity of Yb(3) is twice that of Yb(1) and Yb(2); as such, Yb(3) is not formally 3+ but is actually an intermediate-valent ion.
18. Magnetic measurements were performed on a Quantum Design superconducting quantum interference device (SQUID) with MPMS software. Susceptibility measurements were made in both field cooled and zero field cooled modes. An applied field of 500 Oe was used. The magnetization was linear with field up to 3000 Oe.
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20. 5. The phase purity was improved by annealing the cast pellet at 750 °C for 1 week. Yields were quantitative. Microprobe elemental analysis found the atomic ratios to be 8.3:2.9:4.8 for Yb, Ge, and Sb, respectively, in very good agreement with the refinement.
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22. Band structure calculations were performed using the self-consistent full-potential linearized augmented plane wave method (LAPW) within density functional theory (DFT) using the generalized gradient approximation (GGA) for the exchange and correlation potential. Scalar relativistic corrections were added, and the spin-orbit interaction (SOI) was incorporated using a second variational procedure. The calculations were performed with the WIEN2k program.
23. Band structure calculation plots are available in the Supporting Information
24. There are, however, several examples of closed-shell, valence-precise materials which are metallic: (a) Li, B.; Corbett, J. D. Inorg. Chem. 2002, 41, 3944.
25. (b) Klem, M. T.; Vaughey, J. T.; Corbett, J. D. Inorg. Chem. 2001, 40, 7020.