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Title: Gold-rich R 3Au 7Sn 3: Establishing the interdependence between electronic features and physical properties

Two new polar intermetallic compounds Y 3Au 7Sn 3 (I) and Gd 3Au 7Sn 3 (II) have been synthesized and their structures have been determined by single crystal X-ray diffraction (P6 3/m; Z = 2, a = 8.148(1)/8.185(3), and c = 9.394(2)/9.415(3) for I/II, respectively). They can formally be assigned to the Cu 10Sn 3 type and consist of parallel slabs of Sn centered, edge-sharing trigonal Au 6 antiprisms connected through R 3 (R = Y, Gd) triangles. Additional Au atoms reside in the centres of trigonal Au 6 prisms forming Au@Au 6 clusters with Au–Au distances of 2.906–2.960 Å, while the R–R contacts in the R 3 groups are considerably larger than the sums of their metallic radii. These exclusive structural arrangements provide alluring systems to study the synergism between strongly correlated systems, particularly, those in the structure of (II), and extensive polar intermetallic contacts, which has been inspected by measurements of the magnetic properties, heat capacities and electrical conductivities of both compounds. Gd 3Au 7Sn 3 shows an antiferromagnetic ordering at 13 K, while Y 3Au 7Sn 3 is a Pauli paramagnet and a downward curvature in its electrical resistivity at about 1.9 K points to a superconductingmore » transition. DFT-based band structure calculations on R 3Au 7Sn 3 (R = Y, Gd) account for the results of the conductivity measurements and different spin ordering models of (II) provide conclusive hints about its magnetic structure. As a result, chemical bonding analyses of both compounds indicate that the vast majority of bonding originates from the heteroatomic Au–Gd and Au–Sn interactions, while homoatomic Au–Au bonding is evident within the Au@Au 6 clusters.« less
 [1] ;  [2] ;  [3] ;  [4] ;  [4] ;  [1] ;  [2]
  1. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States); Univ. of Genova, Genova (Italy); Institute SPIN-CNR, Genova (Italy)
  2. Iowa State Univ., Ames, IA (United States); Ames Lab., Ames, IA (United States)
  3. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
  4. Tata Institute of Fundamental Research, Mumbai (India)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 2050-7526; JMCCCX
Grant/Contract Number:
Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. C
Additional Journal Information:
Journal Volume: 3; Journal Issue: 32; Journal ID: ISSN 2050-7526
Royal Society of Chemistry
Research Org:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org:
Country of Publication:
United States