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Title: R 3Au 9 Pn ( R = Y, Gd–Tm; Pn = Sb, Bi): A link between Cu 10Sn 3 and Gd 14Ag 51

A new series of intermetallic compounds R 3Au 9 Pn ( R = Y, Gd–Tm; Pn = Sb, Bi) has been discovered during the explorations of the Au-rich parts of rare-earth-containing ternary systems with p-block elements. The existence of the series is strongly restricted by both geometric and electronic factors. R 3Au 9 Pn compounds crystallize in the hexagonal crystal system with space group P6 3/m (a = 8.08–8.24 Å, c = 8.98–9.08 Å). All compounds feature Au- Pn, formally anionic, networks built up by layers of alternating edge-sharing Au@Au 6 and Sb@Au 6 trigonal antiprisms of overall composition Au 6/2 Pn connected through additional Au atoms and separated by a triangular cationic substructure formed by R atoms. From a first look, the series appears to be isostructural with recently reported R 3Au 7Sn 3 (a ternary ordered derivative of the Cu 10Sn 3-structure type), but no example of R 3Au 9M is known when M is a triel or tetrel element. R 3Au 9 Pn also contains Au@Au 6Au 2 R 3 fully capped trigonal prisms, which are found to be isostructural with those found in the well-researched R 14Au 51 series. This structural motif, not present in Rmore » 3Au 7Sn 3, represents a previously unrecognized link between Cu 10Sn 3 and Gd 14Ag 51 parent structure types. Magnetic property measurements carried out for Ho 3Au 9Sb reveal a complex magnetic structure characterized by antiferromagnetic interactions at low temperature ( T N = 10 K). Two metamagnetic transitions occur at high field with a change from antiferromagnetic toward ferromagnetic ordering. Density functional theory based computations were performed to understand the materials’ properties and to shed some light on the stability ranges. As a result, this allowed a better understanding of the bonding pattern, especially of the Au-containing substructure, and elucidation of the role of the third element in the stability of the structure type.« less
Authors:
 [1] ; ORCiD logo [1] ; ORCiD logo [2] ;  [1] ;  [2] ; ORCiD logo [3]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States); Univ. of Genova, Genova (Italy); Institute SPIN-CNR, Genova (Italy)
  3. Ames Lab. and Iowa State Univ., Ames, IA (United States); Stockholm Univ., Stockholm (Sweden)
Publication Date:
Grant/Contract Number:
AC02-07CH11358
Type:
Published Article
Journal Name:
Inorganic Chemistry
Additional Journal Information:
Journal Volume: 56; Journal Issue: 12; Journal ID: ISSN 0020-1669
Publisher:
American Chemical Society (ACS)
Research Org:
Iowa State Univ., Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1361562
Alternate Identifier(s):
OSTI ID: 1372223

Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Pecharsky, Vitalij, Manfrinetti, Pietro, and Mudring, Anja -Verena. R3Au9Pn (R = Y, Gd–Tm; Pn = Sb, Bi): A link between Cu10Sn3 and Gd14Ag51. United States: N. p., Web. doi:10.1021/acs.inorgchem.7b00898.
Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Pecharsky, Vitalij, Manfrinetti, Pietro, & Mudring, Anja -Verena. R3Au9Pn (R = Y, Gd–Tm; Pn = Sb, Bi): A link between Cu10Sn3 and Gd14Ag51. United States. doi:10.1021/acs.inorgchem.7b00898.
Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Pecharsky, Vitalij, Manfrinetti, Pietro, and Mudring, Anja -Verena. 2017. "R3Au9Pn (R = Y, Gd–Tm; Pn = Sb, Bi): A link between Cu10Sn3 and Gd14Ag51". United States. doi:10.1021/acs.inorgchem.7b00898.
@article{osti_1361562,
title = {R3Au9Pn (R = Y, Gd–Tm; Pn = Sb, Bi): A link between Cu10Sn3 and Gd14Ag51},
author = {Celania, Chris and Smetana, Volodymyr and Provino, Alessia and Pecharsky, Vitalij and Manfrinetti, Pietro and Mudring, Anja -Verena},
abstractNote = {A new series of intermetallic compounds R3Au9Pn (R = Y, Gd–Tm; Pn = Sb, Bi) has been discovered during the explorations of the Au-rich parts of rare-earth-containing ternary systems with p-block elements. The existence of the series is strongly restricted by both geometric and electronic factors. R3Au9Pn compounds crystallize in the hexagonal crystal system with space group P63/m (a = 8.08–8.24 Å, c = 8.98–9.08 Å). All compounds feature Au-Pn, formally anionic, networks built up by layers of alternating edge-sharing Au@Au6 and Sb@Au6 trigonal antiprisms of overall composition Au6/2Pn connected through additional Au atoms and separated by a triangular cationic substructure formed by R atoms. From a first look, the series appears to be isostructural with recently reported R3Au7Sn3 (a ternary ordered derivative of the Cu10Sn3-structure type), but no example of R3Au9M is known when M is a triel or tetrel element. R3Au9Pn also contains Au@Au6Au2R3 fully capped trigonal prisms, which are found to be isostructural with those found in the well-researched R14Au51 series. This structural motif, not present in R3Au7Sn3, represents a previously unrecognized link between Cu10Sn3 and Gd14Ag51 parent structure types. Magnetic property measurements carried out for Ho3Au9Sb reveal a complex magnetic structure characterized by antiferromagnetic interactions at low temperature (TN = 10 K). Two metamagnetic transitions occur at high field with a change from antiferromagnetic toward ferromagnetic ordering. Density functional theory based computations were performed to understand the materials’ properties and to shed some light on the stability ranges. As a result, this allowed a better understanding of the bonding pattern, especially of the Au-containing substructure, and elucidation of the role of the third element in the stability of the structure type.},
doi = {10.1021/acs.inorgchem.7b00898},
journal = {Inorganic Chemistry},
number = 12,
volume = 56,
place = {United States},
year = {2017},
month = {6}
}