Diverse closed cavities in condensed rare earth metal-chalcogenide matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)

Hua Lin; Long-Hua Li; Ling Chen

doi:10.1021/ic202494w

Diverse closed cavities in condensed rare earth metal-chalcogenide matrixes: Cs[Lu7Q11] and (ClCs6)[RE21Q34] (RE = Dy, Ho; Q = S, Se, Te)

Inorg Chem. 2012 Apr 16;51(8):4588-96. doi: 10.1021/ic202494w. Epub 2012 Mar 26.

Authors

Hua Lin¹, Long-Hua Li, Ling Chen

Affiliation

¹ Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China.

PMID: 22449168
DOI: 10.1021/ic202494w

Abstract

Two types of novel ordered chalcogenids Cs[Lu(7)Q(11)] (Q = S, Se) and (ClCs(6))[RE(21)Q(34)] (RE = Dy, Ho; Q = S, Se, Te) were discovered by high-temperature solid state reactions. The structures were characterized by single-crystal X-ray diffraction data. Cs[Lu(7)Q(11)] crystallize in the orthorhombic Cmca (no. 64) with a = 15.228(4)-15.849(7) Å, b = 13.357(3)-13.858(6) Å, c = 18.777(5)-19.509(8) Å, and Z = 8. (ClCs(6))[RE(21)Q(34)] crystallize in the monoclinic C2/m (no. 12) with a = 17.127(2)-18.868(2) Å, b = 19.489(2)-21.578(9) Å, c = 12.988(9)-14.356(2) Å, β = 128.604(2)-128.738(4)°, and Z = 2. Both types of compounds feature 3D RE-Q network structures that embed with dual tricapped cubes Cs(2)@Se(18) in the former or unprecedented matryoshka nesting doll structure cavities of (ClCs(6))@Se(32) in the latter. The band gap, band structure, as well as a structure change trend of the majority of A/RE/Q compounds are presented.