Ge40.0Te5.3I8: synthesis, crystal structure, and properties of a new clathrate-I compoundстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:A new clathrate phase with the composition Ge40.0Te5.3I8 has been prepared and its structure determined from single crystal X-ray data. It crystallizes in the cubic space group Pm (3) over barn with a unit cell parameter a = 10.815(l) angstrom and Z = 1 (R = 0.031 for 272 independent reflections and 19 variables). Germanium and tellurium form a cationic clathrate framework hosting the guest iodine anions in cages of two different shapes. The cationic framework features a joint occupation on two of the three independent sites by germanium and tellurium, leading to the formation of Ge-Ge and Ge-Te bonds and vacancies on the third position. Electron diffraction and high-resolution electron microscopy reveal that the bulk material is not uniform; it contains domains showing a tendency for segregation of tellurium and germanium within the 4-fold positions of the space group P23, which is a subgroup of Pm (3) over barn. Ge40.0TC5.3I8 is a diamagnetic semiconductor with a band gap of about 0.8 eV and its composition agrees with the Zintl formalism for the charge-balanced compounds.