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Title: Eleven new compounds in the RE-Cd-Ge systems (RE=Pr, Nd, Sm, Gd-Yb; Y): Crystal chemistry of the RE{sub 2}CdGe{sub 2} series

Journal Article · · Journal of Solid State Chemistry
; ;  [1];  [1]
  1. Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716 (United States)

A large new family of rare-earth metal-cadmium-germanides RE{sub 2}CdGe{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Yb) has been synthesized and structurally characterized. All eleven structures have been established from single-crystal X-ray diffraction data and have been found to belong to the tetragonal Mo{sub 2}FeB{sub 2} structure type (ordered ternary variant of the U{sub 3}Si{sub 2} structure type-space group P4/mbm (No. 127), Z=2; Pearson symbol tP10). The structural variations among the three series of isostructural RE{sub 2}MgGe{sub 2}, RE{sub 2}InGe{sub 2}, and RE{sub 2}CdGe{sub 2} compounds are discussed, as well as the crystal chemistry changes as a function of the decreasing size of the rare-earth metals (lattice constants a=7.176(2)-7.4589(12) A and c=4.1273(14)-4.4356(13) A). The experimental results have been complemented by tight-binding linear muffin-tin orbital (TB-LMTO) electronic structure calculations. - Graphical abstract: More than 300 compounds have been reported to crystallize with the tetragonal U{sub 3}Si{sub 2} structure type, or the Mo{sub 2}FeB{sub 2} structure type, which is its ordered ternary variant. Among them, there are several large RE{sub 2}CdX{sub 2} classes, where the X-elements are typically late transition metals such as Cu, Ni, Au, Pd, Pt, and Rh. The new RE{sub 2}CdGe{sub 2} phases (RE=Y, Pr, Nd, Sm, Gd-Yb) increase the diversity and represent the first cadmium germanides. Highlights: Black-Right-Pointing-Pointer RE{sub 2}CdGe{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Yb) are new ternary germanides. Black-Right-Pointing-Pointer Their structures can be recognized as a 1:1 intergrowth of CsCl- and AlB{sub 2}-like slabs. Black-Right-Pointing-Pointer The Ge atoms are covalently bound into Ge{sub 2} dumbbells. Black-Right-Pointing-Pointer Almost all RE{sub 2}CdGe{sub 2} phases are the first structurally characterized phases in the respective ternary RE-Cd-Ge systems.

OSTI ID:
22131094
Journal Information:
Journal of Solid State Chemistry, Vol. 192; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
Country of Publication:
United States
Language:
English