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

Celania, Chris; Smetana, Volodymyr; Provino, Alessia; Manfrinetti, Pietro; Mudring, Anja-Verena

doi:10.1021/acs.cgd.7b01469

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

Journal Article · Tue Dec 19 00:00:00 EST 2017 · Crystal Growth and Design

DOI:https://doi.org/10.1021/acs.cgd.7b01469· OSTI ID:1425473

Celania, Chris ^[1];

^[2];

^[3]; Manfrinetti, Pietro ^[3];

^[4]

Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Materials Science and Engineering
Ames Lab., Ames, IA (United States); Stockholm Univ. (Sweden). Dept. of Materials and Environmental Chemistry
Ames Lab., Ames, IA (United States); Univ. of Genova, Genova (Italy). Dept. of Chemistry; Consiglio Nazionale delle Ricerche (CNR), Genova (Italy). SPIN Inst.
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

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.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Stockholm University Sweden

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1425473

Report Number(s):: IS-J-9581

Journal Information:: Crystal Growth and Design, Vol. 18, Issue 2; ISSN 1528-7483

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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36 MATERIALS SCIENCE

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CCDC 1581764: Experimental Crystal Structure Determination: MESKIH : Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q2ynd The current record is supplemented by this dataset	dataset	October 2017
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CCDC 1581766: Experimental Crystal Structure Determination: MESJUS : Non-CSD Structure Space Group: P 6/m (175), Cell: a 12.7060(18)Å b 12.7060(18)Å c 9.2170(18)Å, α 90° β 90° γ 120° Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q2yqg The current record is supplemented by this dataset	dataset	October 2017
CCDC 1581767: Experimental Crystal Structure Determination: MESLII : Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q2yrh The current record is supplemented by this dataset	dataset	October 2017
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CCDC 1581775: Experimental Crystal Structure Determination: MESJIG : Non-CSD Structure Space Group: P 6/m (175), Cell: a 12.9175(14)Å b 12.9175(14)Å c 9.3845(10)Å, α 90° β 90° γ 120° Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q2z0s The current record is supplemented by this dataset	dataset	October 2017
CCDC 1582098: Experimental Crystal Structure Determination: MESJAY : Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q39fk The current record is supplemented by this dataset	dataset	October 2017
CCDC 1582099: Experimental Crystal Structure Determination: MESHOK : Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q39gl The current record is supplemented by this dataset	dataset	October 2017
CCDC 1582100: Experimental Crystal Structure Determination: MESJEC : Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q39hm The current record is supplemented by this dataset	dataset	October 2017
CCDC 1582101: Experimental Crystal Structure Determination: Non-CSD Structure Celania, Chris; Smetana, Volodymyr; Provino, Alessia https://doi.org/10.5517/ccdc.csd.cc1q39jn The current record is supplemented by this dataset	dataset	October 2017

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

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