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Monoclinic superstructure of Pr3Rh4Ge4

  • Daniel Voßwinkel , Rolf-Dieter Hoffmann , Magnus Greiwe , Matthias Eul and Rainer Pöttgen EMAIL logo
Published/Copyright: October 15, 2016
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 231 Issue 11

Abstract

Pr3Rh4Ge4 was synthesized by melting of the elements in an arc-melting furnace followed by annealing in a sealed tantalum ampoule in a muffle furnace. Structure refinement was based on temperature dependent single-crystal X-ray diffractometer data. At ambient temperature Pr3Rh4Ge4 adopts the U3Ni4Si4 type structure with strongly enhanced anisotropic displacement parameters for Rh1. Below 230 K additional reflections start to appear and at 110 K the structure could be described with the (3+1)D superspace group I2/m(α0γ)00; α=1/2, γ=1/2; (Z=2). This commensurately modulated structure could be refined with 1448 F2 values, 39 variables and residuals of wR=0.0417 for the main reflections and wR=0.1520 for the satellites of 1st order, [a=408.36(2), b=421.12(3) and c=2504.4(2) pm]. The commensurate description could be transformed to a 3D supercell with space group A2/m and Z=4: a=816.72(2), b=421.12(3), c=2537.5(1) pm, β=99.26(1)°, 1448 F2 values, 69 variables and wR=0.0499. The relation of the U3Ni4Si4 type structure, the (3+1)D modulated and the 3D supercell is discussed on the basis of a group–subgroup scheme. Temperature dependent magnetic susceptibility data reveal Curie–Weiss paramagnetism with an experimental moment of 3.72(2) μB/Pr atom and a Weiss constant of –12.6(5) K. No magnetic ordering is evident down to 3 K.

Keywords: commensurately modulated structure; germanide; group–subgroup scheme; praseodymium

Acknowledgments

This work was supported by the Deutsche Forschungsgemeinschaft. We thank Dipl.-Ing. U. Ch. Rodewald for the intensity data collections and Dr. O. Janka for fruitful discussion.

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Received: 2016-7-21
Accepted: 2016-9-18
Published Online: 2016-10-15
Published in Print: 2016-11-1

©2016 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. Monoclinic superstructure of Pr3Rh4Ge4
  5. Organic and Metalorganic Crystal Structures
  6. A conformational polymorph of Ph3PAu[SC(OEt)=NPh] featuring an intramolecular Au···π interaction
  7. Crystallographic and computational study of t-butyl N-[3-hydroxy-1-phenyl-4-(pyridin- 2-ylsulfanyl)butan-2-yl]carbamate and its pyrimidin-2-yl analogue
  8. Mesoscale twinning in shells of Pinctada martensii
  9. Waters in room temperature and cryo protein crystal structures
https://doi.org/10.1515/zkri-2016-1992
Keywords for this article
commensurately modulated structure; germanide; group–subgroup scheme; praseodymium

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. Monoclinic superstructure of Pr3Rh4Ge4
  5. Organic and Metalorganic Crystal Structures
  6. A conformational polymorph of Ph3PAu[SC(OEt)=NPh] featuring an intramolecular Au···π interaction
  7. Crystallographic and computational study of t-butyl N-[3-hydroxy-1-phenyl-4-(pyridin- 2-ylsulfanyl)butan-2-yl]carbamate and its pyrimidin-2-yl analogue
  8. Mesoscale twinning in shells of Pinctada martensii
  9. Waters in room temperature and cryo protein crystal structures
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