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Scandium–copper–indides deriving from the ZrNiAl and MnCu2Al type structures

  • Nataliya L. Gulay , Jutta Kösters , Yaroslav M. Kalychak and Rainer Pöttgen EMAIL logo
Published/Copyright: March 22, 2022
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 237 Issue 1-3

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 ‾ 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 ‾ 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.

Keywords: copper; indium; scandium; superstructure
Corresponding author: Rainer Pöttgen, Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, 48149 Münster, Germany, E-mail:

Funding source: Deutscher Akademischer Austauschdienst

Acknowledgements

We thank M. Sc. C. Paulsen for the EDX analyses of the single crystals.

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: The research stay of NG in Münster was supported by the Deutscher Akademischer Austauschdienst.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2022-02-07
Accepted: 2022-02-25
Published Online: 2022-03-22
Published in Print: 2022-03-28

© 2022 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. In this issue
  3. Micro Review
  4. Structural diversity among multinary pnictide oxides: a minireview focused on semiconducting and superconducting heteroanionic materials
  5. Inorganic Crystal Structures (Original Paper)
  6. The orthorhombic-to-monoclinic phase transition in NbCrP – Peierls distortion of the chromium chain
  7. Halide-sodalites: thermal expansion, decomposition and the Lindemann criterion
  8. RE3Rh2Sn4 (RE = Y, Gd–Tm, Lu) – first stannides with Lu3Co2In4 type structure
  9. Scandium–copper–indides deriving from the ZrNiAl and MnCu2Al type structures
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https://doi.org/10.1515/zkri-2022-0009
Keywords for this article
copper; indium; scandium; superstructure

Articles in the same Issue

  1. Frontmatter
  2. In this issue
  3. Micro Review
  4. Structural diversity among multinary pnictide oxides: a minireview focused on semiconducting and superconducting heteroanionic materials
  5. Inorganic Crystal Structures (Original Paper)
  6. The orthorhombic-to-monoclinic phase transition in NbCrP – Peierls distortion of the chromium chain
  7. Halide-sodalites: thermal expansion, decomposition and the Lindemann criterion
  8. RE3Rh2Sn4 (RE = Y, Gd–Tm, Lu) – first stannides with Lu3Co2In4 type structure
  9. Scandium–copper–indides deriving from the ZrNiAl and MnCu2Al type structures
  10. Syntheses, crystallographic characterization, and structural relations of Rb[SCN]
  11. Organic and Metalorganic Crystal Structures (Original Paper)
  12. Unique supramolecular assembly of a synthetic achiral α, γ-hybrid tripeptide
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