Scandium–copper–indides deriving from the ZrNiAl and MnCu2Al type structures
Author:
Gulay Nataliya L.1, Kösters Jutta1, Kalychak Yaroslav M.2, Pöttgen Rainer1
Affiliation:
1. Institut für Anorganische und Analytische Chemie, Universität Münster , Corrensstrasse 30, 48149 Münster , Germany 2. Department of Analytical Chemistry , Ivan Franko National University of Lviv , Kyryla i Mefodiya Street 6, 79005 Lviv , Ukraine
Abstract
Abstract
Phase analytical studies in the Sc–Cu–In system led to samples of the solid solutions ScCu1–x–y
In1+x
and ScCu2–x
In which were studied by X-ray powder diffraction. At room temperature the compounds ScCu1–x–y
In1+x
crystallize with the ZrNiAl type, space group P
6
‾
$\overline{6}$
2m. Exemplarily, the structure of ScCu0.76In1.17 was refined from single crystal X-ray diffractometer data, revealing strong anisotropic displacements for the scandium atoms and a mixed occupied Cu/In site. Superstructure formation is observed at low temperatures. The ScCu0.78In1.14 and ScCu0.76In1.16 structures were refined from diffraction data recorded at 90 K. Both compounds adopt the HfRhSn type, space group P
6
‾
$\overline{6}$
2c, a klassengleiche subgroup of index 2; doubling of the subcell c axis. The Cu/In filled trigonal Sc6 prisms are strongly distorted in the superstructure, resulting from pairwise dislocation of the Cu/In atoms from ideal positions within an equidistant chain to shorter (311.0 pm) and longer (392.8 pm) Cu/In–Cu/In distances. Single crystal data of the Heusler phases ScCu1.95In and ScCu1.94In show small degrees of copper vacancies.
Funder
Deutscher Akademischer Austauschdienst
Publisher
Walter de Gruyter GmbH
Subject
Inorganic Chemistry,Condensed Matter Physics,General Materials Science
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