Vacancy ordering in Pd11Bi2Se2 - Crystal structure and propertiesстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 10 февраля 2018 г.
Аннотация:The crystal structure of Pd11Bi2Se2 was determined and refined from X-ray single crystal data (space group Fd‾3 m, a = 12.4879(14) Å, Z = 8). In contrast to the earlier reported Pd3(Bi0.6Se0.4), the title compound crystallizes in a 2 × 2 × 2 superstructure of the BiF3 type with ordered bismuth and selenium distribution and an ordered vacancy according to Pd11□Bi2Se2. The vacancy is located at the center of a palladium tetrahedron capped with a bismuth tetrahedron (stella quadrangula). Pd11Bi2Se2 is isopointal to Li13In3 but shows different ordering of the minority components. Pd11Bi2Se2 is inert to water, organic solvents and concentrated hydrochloric acid and its melting point is 905(1) K. It exhibits a very small effective magnetic moment of μeff = 0.0114(2) μB per palladium atom. Pd11Bi2Se2 does not take up hydrogen up to 7.2(2) MPa hydrogen pressure and temperatures up to 703 K. In the electronic structure, the region near the Fermi level is dominated by almost filled Pd 4d-states. Low yet non-zero density of states and a pseudo-gap at the Fermi level might indicate Pd11Bi2Se2 to be a poor metal.