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Title: R14 (Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type

Abstract

Twenty new ternary representatives of the Gd14Ag51 structure type have been synthesized within the R-Au-M family (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi) using solid state synthesis techniques. The list of post transition metals (M) involved in the formation of this type of structure could be augmented by five new representatives. All compounds crystallize in the hexagonal space group P6/m (#175) with the unit cell ranges of a = 12.3136(2)–12.918(1) Å and c = 8.9967(3)–9.385(1) Å, and incorporate different degrees of Au/M mixing. The involvement of the post transition element in the structure varies from one to another compound both qualitatively and quantitatively. A rather significant phase width can be expected for the majority of compounds, however, not without exclusions. The distribution of the post transition metals within the structure has been analyzed via single crystal X-ray diffraction. While the positional disorder of one near-origin Au position is expectable for all compounds due to steric reasons, two specimens show an obvious deviation from the others including another Au position split along the c axis. Lastly, possible factors affecting this behavior are discussed.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3];  [3]; ORCiD logo [4]
  1. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering
  2. Ames Lab., Ames, IA (United States); Stockholm Univ. (Sweden). Dept. of Materials and Environmental Chemistry
  3. Ames Lab., Ames, IA (United States); Univ. of Genova, Genova (Italy). Dept. of Chemistry; Consiglio Nazionale delle Ricerche (CNR), Genova (Italy). SPIN Inst.
  4. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering; Stockholm Univ. (Sweden). Dept. of Materials and Environmental Chemistry
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); Stockholm University Sweden
OSTI Identifier:
1425473
Report Number(s):
IS-J-9581
Journal ID: ISSN 1528-7483
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Volume: 18; Journal Issue: 2; Journal ID: ISSN 1528-7483
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Manfrinetti, Pietro, and Mudring, Anja-Verena. R14 (Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type. United States: N. p., 2017. Web. https://doi.org/10.1021/acs.cgd.7b01469.
Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Manfrinetti, Pietro, & Mudring, Anja-Verena. R14 (Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type. United States. https://doi.org/10.1021/acs.cgd.7b01469
Celania, Chris, Smetana, Volodymyr, Provino, Alessia, Manfrinetti, Pietro, and Mudring, Anja-Verena. Tue . "R14 (Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type". United States. https://doi.org/10.1021/acs.cgd.7b01469. https://www.osti.gov/servlets/purl/1425473.
@article{osti_1425473,
title = {R14 (Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type},
author = {Celania, Chris and Smetana, Volodymyr and Provino, Alessia and Manfrinetti, Pietro and Mudring, Anja-Verena},
abstractNote = {Twenty new ternary representatives of the Gd14Ag51 structure type have been synthesized within the R-Au-M family (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi) using solid state synthesis techniques. The list of post transition metals (M) involved in the formation of this type of structure could be augmented by five new representatives. All compounds crystallize in the hexagonal space group P6/m (#175) with the unit cell ranges of a = 12.3136(2)–12.918(1) Å and c = 8.9967(3)–9.385(1) Å, and incorporate different degrees of Au/M mixing. The involvement of the post transition element in the structure varies from one to another compound both qualitatively and quantitatively. A rather significant phase width can be expected for the majority of compounds, however, not without exclusions. The distribution of the post transition metals within the structure has been analyzed via single crystal X-ray diffraction. While the positional disorder of one near-origin Au position is expectable for all compounds due to steric reasons, two specimens show an obvious deviation from the others including another Au position split along the c axis. Lastly, possible factors affecting this behavior are discussed.},
doi = {10.1021/acs.cgd.7b01469},
journal = {Crystal Growth and Design},
number = 2,
volume = 18,
place = {United States},
year = {2017},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

Table 1 Table 1: Crystallographic Details and Refinement Parameters for Gd14(Au, Sb)51, Lu14(Au, Ga)51, and La14(Au, Bi)51

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.