Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Zeitschrift für Kristallographie - New Crystal Structures

Editor-in-Chief: Huppertz, Hubert

Editorial Board: Hübschle, Christian / Janka, Oliver / Lemmerer, Andreas / Reiß, Guido / Tiekink, Edward R.T.


IMPACT FACTOR 2018: 0.290

Cite Score 2018: 0.31

SCImago Journal Rank (SJR) 2018: 0.152
Source Normalized Impact per Paper (SNIP) 2018: 0.231

Open Access
Online
ISSN
2197-4578
See all formats and pricing
More options …
Volume 233, Issue 1

Issues

Crystal structure of Ga0.62(3)Sb0.38(3)Pd3

Oksana Matselko
  • Corresponding author
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany
  • Ivan Franko National University of Lviv, Department of Inorganic Chemistry, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Ulrich Burkhardt
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Roman Gladyshevskii
  • Ivan Franko National University of Lviv, Department of Inorganic Chemistry, Kyryla i Mefodiya St. 6, 79005 Lviv, Ukraine
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Yuri Grin
  • Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Str. 40, 01187 Dresden, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2017-11-21 | DOI: https://doi.org/10.1515/ncrs-2017-0179

Abstract

Ga0.62(3)Sb0.38(3)Pd3, tetragonal, P4/mbm (no. 127), a = 5.5036(2) Å, c = 7.9990(3) Å, V = 242.29(3) Å3, Z = 4, Rp = 0.0168, Rwp = 0.0291, T = 295 K.

This article offers supplementary material which is provided at the end of the article.

CSD no.: 433694

The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Table 2:

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

Source of materials

New palladium compound with gallium and antimony, Ga0.62(3)Sb0.38(3)Pd3, was synthesized from elemental palladium (granules, ChemPur, 99.95%), gallium (pellets, ChemPur, 99.9999%) and antimony (shots, ChemPur, 99.9999%) by arc melting in a glove box (Ar atmosphere; O2 and H2O content below 1 ppm). Sample with a nominal composition Ga14Sb11Pd75, placed in alumina crucible and evacuated quartz glass tube, was annealed at 1123 K (48 h) and then at 773 K (408 h) and subsequently quenched in water. For the XRPD analysis the sample was filed and additionally annealed at 773 K for 24 h to remove residual strain. According to the obtained results, formation of the new ternary phase was detected.

Experimental details

The crystal structure of Ga0.62(3)Sb0.38(3)Pd3 was refined from XRPD data.

Comment

Ga0.62(3)Sb0.38(3)Pd3 crystallizes in the Pt3Ga structure type [1]. There is no binary phase with composition 3:1 in the Ga–Pd system [2], while Pt3Al and Pt3Ga exist in three modifications [3] – high temperature cubic (Cu3Au-type structure, Pmm, cP4), intermediate (U3Si-type structure, I4/mcm, tI16) and low temperature (Pt3Al-type structure, P4/mbm, tP16). The new ternary phase behaves similar to the binary platinum representative. Preliminary information on this phase was presented in [4].

Coordination environments of Pd1, Pd2, Ga1/Sb1 may be described as distorted tetragonal prisms with four additional atoms centering side faces (CN = 12). In the case of Pd3, the coordination polyhedron is also a distorted tetragonal prism, but with five additional atoms – four are situated opposite side faces and one is centering an edge (CN = 13).

In the crystal structure of Ga0.62(3)Sb0.38(3)Pd3 the interatomic Pd–Pd distances are not significantly increased in comparison with elemental palladium (by 0.6% for Pd1, 2.3% for Pd2, 2.5% for Pd3). Thus, palladium atoms are not well isolated. This feature does not allow to consider the title compound as a good potential catalytic material for the selective semi-hydrogenation of acetylene [5].

Acknowledgements

Dr. Horst Borrmann, Dr. Yurii Prots, Mr. Steffen Hückmann are acknowledged for XRPD experiments. OM is grateful to Dr. Lev Akselrud for help during crystal structure refinement.

References

  • Chattopadhyay, T.; Schubert, K.: Kristallstruktur von Pt3Ga(r) und einigen phasen der mischung Pt–Al. J. Less-Common Met. 41 (1975) 19–32. CrossrefGoogle Scholar

  • Okamoto, H.: Ga–Pd (Gallium–Palladium). J. Phase Equilib. Diffus. 29 (2008) 466–467. CrossrefGoogle Scholar

  • Oya, Y.; Mishima, Y.; Suzuki, T.: The Pt–Al and Pt–Ga phase diagram with emphasis on the polymorphism of Pt3Al and Pt3Ga. Z. Metallkd. 78 (1987) 485–490. Google Scholar

  • Matselko, O.; Cardoso-Gil, R.; Burkhardt, U.; Grin, Yu.; Gladyshevskii, R.: On the room and high temperature modifications of Pd3(Ga,Sb) ternary phase. Coll. Abst. 15th Europ. Conf. Solid State Chem., Vienna (2015) 55. Google Scholar

  • Borodziński, A.; Bond, G. C.: Selective hydrogenation of ethyne in ethene-rich streams on palladium catalysts. Part 1. Effect of changes to the catalyst during reaction. Catal. Rev.: Sci. Eng. 48 (2006) 91–144. CrossrefGoogle Scholar

  • Akselrud, L.; Grin, Yu.: WinCSD: software package for crystallographic calculations (Version 4). J. Appl. Cryst. 47 (2014) 803–805. CrossrefGoogle Scholar

  • Brandenburg, K.: DIAMOND. Crystal and molecular structure visualization. Version 3.2k. Crystal Impact, Bonn, Germany (2014). Google Scholar

About the article

Received: 2017-06-23

Accepted: 2017-10-18

Published Online: 2017-11-21

Published in Print: 2018-01-26


Citation Information: Zeitschrift für Kristallographie - New Crystal Structures, Volume 233, Issue 1, Pages 87–88, ISSN (Online) 2197-4578, ISSN (Print) 1433-7266, DOI: https://doi.org/10.1515/ncrs-2017-0179.

Export Citation

©2018 Oksana Matselko et al., published by De Gruyter, Berlin/Boston. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License. BY-NC-ND 4.0

Supplementary Article Materials

Comments (0)

Please log in or register to comment.
Log in