Modulated structure of TaSi[sub 0. 414]Te[sub 2]: Sandwich stacking in the MA[sub x]Te[sub 2] (M = Nb, Ta; A = Si, Ge; 1/3 [le] x [le] 1/2) series

Journal Article · Sat Oct 01 00:00:00 EDT 1994 · Chemistry of Materials; (United States)

DOI:https://doi.org/10.1021/cm00046a034· OSTI ID:6564190

Evain, M; Lee, A van der; Monconduit, L ^[1]; Petricek, V ^[2]

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1. Universite de Nantes (France)
2. Institute of Physics, Praha (Czech Republic)

The complete structure of the incommensurate compound TaSi[sub 0.414]Te[sub 2] has been determined by single-crystal X-ray diffraction. The (3 + 1)D superspace group is Pnma(00[gamma])s00, [gamma] = 0.414(1), basic unit-cell dimensions a = 6.318(1), b = 14.031(2), c = 3.8552(7) [angstrom], V = 341.8(1) [angstrom][sup 3], and Z = 4. Refinement on 2989 reflections with I [ge] 2.5[sigma](I) converged to R = 0.111, R = 0.054 for 1100 main reflections and R = 0.113, 0.164, 0.325, and 0.527 for 1270 first-order, 311 second-order, 179 third-order, and 129 fourth- and sixth-order satellites, respectively. The structure can be considered as a succession of commensurate domains of the TaSi[sub 3/7]Te[sub 2] and TaSi[sub 2/5]Te[sub 2] structures. Although demonstrated as being incommensurate, the structure is compared to the closest, simple hypothetical commensurate structure, TaSi[sub 5/12]Te[sub 2]. A detailed analysis of the sandwich stacking in the MA[sub x]Te[sub 2] series, 1/3 [le] x [le] 1/2, is performed. Stacking rules are established and a symmetry versus stacking relationship is discussed. 20 refs., 8 figs., 4 tabs.

• OSTI ID: 6564190
• Journal Information: Chemistry of Materials; (United States), Vol. 6:10; ISSN 0897-4756
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
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CRYSTAL STRUCTURE
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TELLURIDES
CHALCOGENIDES
REFRACTORY METAL COMPOUNDS
TELLURIUM COMPOUNDS
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400201* - Chemical & Physicochemical Properties
360602 - Other Materials- Structure & Phase Studies