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:
-
- 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
- Publication Date:
- Research Org.:
- Ames Laboratory (AMES), 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. doi: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 = {Tue Dec 19 00:00:00 EST 2017},
month = {Tue Dec 19 00:00:00 EST 2017}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Relativistic effects on chemical properties
journal, August 1979
- Pitzer, Kenneth S.
- Accounts of Chemical Research, Vol. 12, Issue 8
Relativity and the periodic system of elements
journal, August 1979
- Pyykko, Pekka; Desclaux, Jean Paul
- Accounts of Chemical Research, Vol. 12, Issue 8
Relativistic effects in structural chemistry
journal, May 1988
- Pyykko, Pekka
- Chemical Reviews, Vol. 88, Issue 3
Relativistic Effects in Chemistry: More Common Than You Thought
journal, May 2012
- Pyykkö, Pekka
- Annual Review of Physical Chemistry, Vol. 63, Issue 1
The quadrupole moment of the 3∕2+ nuclear ground state of Au197 from electric field gradient relativistic coupled cluster and density-functional theory of small molecules and the solid state
journal, March 2005
- Schwerdtfeger, Peter; Bast, Radovan; Gerry, Michael C. L.
- The Journal of Chemical Physics, Vol. 122, Issue 12
Cesiumauride Ammonia (1/1), CsAu⋅NH3: A Crystalline Analogue to Alkali Metals Dissolved in Ammonia?
journal, January 2002
- Mudring, Anja-Verena; Jansen, Martin; Daniels, Jörg
- Angewandte Chemie International Edition, Vol. 41, Issue 1
Base-Induced Disproportionation of Elemental Gold
journal, September 2000
- Mudring, Anja-Verena; Jansen, Martin
- Angewandte Chemie, Vol. 39, Issue 17
Gold Polar Intermetallics: Structural Versatility through Exclusive Bonding Motifs
journal, October 2017
- Smetana, Volodymyr; Rhodehouse, Melissa; Meyer, Gerd
- Accounts of Chemical Research, Vol. 50, Issue 11
A Sodium-Containing Quasicrystal: Using Gold To Enhance Sodium’s Covalency in Intermetallic Compounds
journal, November 2012
- Smetana, Volodymyr; Lin, Qisheng; Pratt, Daniel K.
- Angewandte Chemie International Edition, Vol. 51, Issue 51
Development of the Ca−Au−In Icosahedral Quasicrystal and Two Crystalline Approximants: Practice via Pseudogap Electronic Tuning
journal, May 2007
- Lin, Qisheng; Corbett, John D.
- Journal of the American Chemical Society, Vol. 129, Issue 21
Approximant Phases and an Icosahedral Quasicrystal in the Ca−Au−Ga System: The Influence of Size of Gallium versus Indium
journal, September 2008
- Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 47, Issue 17
Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na–Au–Ga system
journal, November 2013
- Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.
- Journal of Solid State Chemistry, Vol. 207
Rb4Au7Sn2, eine intermetallische Phase mit siebenatomigen Goldclustern/ Rb4Au7Sn2, an Intermetallic Phase with Sevenatomic Gold-Clusters
journal, July 1981
- Sinnen, Heinz-Dieter; Schuster, Hans-Uwe
- Zeitschrift für Naturforschung B, Vol. 36, Issue 7
Cs4Au7Sn2: eine Gold-Zinn-Gerüststruktur mit [Au7]-Clustern und Sn2-Hanteln
journal, September 1998
- Zachwieja, Uwe; Wlodarski, Jörg
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 624, Issue 9
Infinite Gold Zig-Zag Chains as Structural Motif in Ca3Au3In – A Ternary Ordered Variant of the Ni4B3 Type
journal, January 2008
- Muts, Ihor R.; Zaremba, Vasyl I.; Rodewald, Ute Ch.
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 634, Issue 1
Synthese und Struktur von K 2 Au 3 , einer neuen Phase im System Kalium—Gold / Synthesis and Structure of K 2 Au 3 , a New Phase in the System Potassium —Gold
journal, February 1989
- Krieger-Beck, Petra; Brodbeck, Andreas; Strähle, Joachim
- Zeitschrift für Naturforschung B, Vol. 44, Issue 2
Einkristallzüchtung und Strukturverfeinerung von KAu5 und RbAu5
journal, May 1993
- Zachwieja, U.
- Journal of Alloys and Compounds, Vol. 196, Issue 1-2
Turning Gold into “Diamond”: A Family of Hexagonal Diamond-Type Au-Frameworks Interconnected by Triangular Clusters in the Sr–Al–Au System
journal, February 2014
- Palasyuk, Andriy; Grin, Yuri; Miller, Gordon J.
- Journal of the American Chemical Society, Vol. 136, Issue 8
SrAu4Ga3: a further example with Ga3 units and a Lonsdaleite-related gold substructure
journal, April 2014
- Seidel, Stefan; Hoffmann, Rolf-Dieter; Pöttgen, Rainer
- Monatshefte für Chemie - Chemical Monthly, Vol. 145, Issue 7
Crystal Structure and Bonding in BaAu 5 Ga 2 and AeAu 4+ x Ga 3– x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae–Au–Ga Systems
journal, November 2014
- Smetana, Volodymyr; Steinberg, Simon; Card, Nathan
- Inorganic Chemistry, Vol. 54, Issue 3
Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T) 3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba 2 Au 6 (Au,T) 3 (T = Zn, Cd, Ga, In, or Sn)
journal, July 2013
- Lin, Qisheng; Mishra, Trinath; Corbett, John D.
- Journal of the American Chemical Society, Vol. 135, Issue 30
Zn 3 and Ga 3 Triangles as Building Units in Sr 2 Au 6 Zn 3 and Sr 2 Au 6 Ga 3 : Zn
journal, September 2013
- Gerke, Birgit; Hoffmann, Rolf-Dieter; Pöttgen, Rainer
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 639, Issue 14
Sr2Au6Al3 and Eu2Au6Al3 – First Representatives of the Sr2Au6Zn3 Type with Aluminum Triangles
journal, January 2014
- Gerke, Birgit; Pöttgen, Rainer
- Zeitschrift für Naturforschung B, Vol. 69, Issue 1
Triangular Zn 3 and Ga 3 units in Sr 2 Au 6 Zn 3 , Eu 2 Au 6 Zn 3 , Sr 2 Au 6 Ga 3 , and Eu 2 Au 6 Ga 3 – structure, magnetism, 151 Eu Mössbauer and 69;71 Ga solid state NMR spectroscopy
journal, March 2016
- Gerke, Birgit; Korthaus, Alexander; Niehaus, Oliver
- Zeitschrift für Naturforschung B, Vol. 71, Issue 5
Eine neue verbindung im system rubidium-gold: synthese und struktur von Rb3Au7
journal, September 1993
- Zachwieja, Uwe
- Journal of Alloys and Compounds, Vol. 199, Issue 1-2
Ternary stannides RE2Au5Sn2 (RE = Gd-Er) – i3 superstructures of the Fe2P type
journal, January 2015
- Fickenscher, Thomas; Rodewald, Ute Ch.; Pöttgen, Rainer
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 230, Issue 2
Gold-rich R 3 Au 7 Sn 3 : establishing the interdependence between electronic features and physical properties
journal, January 2015
- Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr
- J. Mater. Chem. C, Vol. 3, Issue 32
Gold in the Layered Structures of R 3 Au 7 Sn 3 : From Relativity to Versatility
journal, September 2016
- Provino, Alessia; Steinberg, Simon; Smetana, Volodymyr
- Crystal Growth & Design, Vol. 16, Issue 10
Syntheses optimization, structural and thermoelectric properties of 1/1 Tsai-type quasicrystal approximants in RE–Au–SM systems (RE=Yb, Gd and SM=Si, Ge)
journal, March 2013
- Gebresenbut, Girma Hailu; Tamura, Ryuji; Eklöf, Daniel
- Journal of Physics: Condensed Matter, Vol. 25, Issue 13
Magnetocaloric Behavior in Ternary Europium Indides EuT 5 In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials
journal, November 2016
- Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr
- Chemistry of Materials, Vol. 29, Issue 6
Cation-Poor Complex Metallic Alloys in Ba(Eu)–Au–Al(Ga) Systems: Identifying the Keys that Control Structural Arrangements and Atom Distributions at the Atomic Level
journal, October 2015
- Smetana, Volodymyr; Steinberg, Simon; Mudryk, Yaroslav
- Inorganic Chemistry, Vol. 54, Issue 21
Physical properties of the type-I clathrate phase Ba 8−x Eu x Au y Si 46−y
journal, May 2017
- Tomeš, P.; Himmelbauer, T.; Sidorenko, A.
- Acta Materialia, Vol. 129
New structures formed by R3Au4Sn3, R5Au8Sn5 and R3Au6Sn5 compounds (R = rare earths)
journal, October 2014
- Fornasini, M. L.; Mazzone, D.; Provino, A.
- Intermetallics, Vol. 53
The stannides RE3Au6Sn5 (RE = La, Ce, Pr, Nd, Sm) – synthesis, structure, magnetic properties and 119Sn Mössbauer spectroscopy
journal, June 2015
- Fickenscher, Thomas; Rodewald, Ute Ch.; Niehaus, Oliver
- Zeitschrift für Naturforschung B, Vol. 70, Issue 6
R 3 Au 9 Pn ( R = Y, Gd–Tm; Pn = Sb, Bi): A Link between Cu 10 Sn 3 and Gd 14 Ag 51
journal, May 2017
- Celania, Chris; Smetana, Volodymyr; Provino, Alessia
- Inorganic Chemistry, Vol. 56, Issue 12
On the structure of the compounds Ag3R.E. (R.E. = Y, La, Ce, Sm, Gd, Dy, Ho, Er)
journal, June 1968
- Steeb, S.; Godel, D.; Löhr, C.
- Journal of the Less Common Metals, Vol. 15, Issue 2
Factors influencing the formation of silver-rich solid solutions in rare-earth-silver alloy systems
journal, July 1970
- Gschneidner, K. A.; McMasters, O. D.; Alexander, D. G.
- Metallurgical Transactions, Vol. 1, Issue 7
Crystallographic data for intermediate phases in the copper-zirconium and copper-hafnium systems
journal, May 1975
- Bsenko, Lars
- Journal of the Less Common Metals, Vol. 40, Issue 3
The strontium-mercury system
journal, March 1974
- Bruzzone, G.; Merlo, F.
- Journal of the Less Common Metals, Vol. 35, Issue 1
The structure type and its relation to some complex amalgam structures
journal, January 2015
- Tambornino, Frank; Sappl, Jonathan; Hoch, Constantin
- Journal of Alloys and Compounds, Vol. 618
Crystal structures and new perspectives on Y3Au4 and Y14Au51
journal, August 2017
- Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena
- Acta Crystallographica Section C Structural Chemistry, Vol. 73, Issue 9, p. 692-696
Effects of the Th-substitution on the antiferromagnetic coupling and Kondo-like behaviour in the heavy-fermion system U14Au51
journal, April 1992
- Canepa, F.; Palenzona, A.; Eggenhöffner, R.
- Physica B: Condensed Matter, Vol. 176, Issue 4
Electrical and magnetic properties of the pseudobinary system (U1-xThx)14Au51
journal, February 1992
- Eggenhoffner, R.; Canepa, F.; Palenzona, A.
- Journal of Alloys and Compounds, Vol. 178, Issue 1-2
On the structure types of UAu2 and U14Au51
journal, August 1988
- Dommann, A.; Hulliger, F.
- Journal of the Less Common Metals, Vol. 141, Issue 2
Room temperature and 500 °C isothermal sections of the AgCuDy (0–33.3 at. % Dy) phase diagram
journal, April 1993
- Kanghou, Zhang; Lili, Chen; Chunxiao, He
- Journal of Alloys and Compounds, Vol. 194, Issue 1
Crystal structure of Gd14Cu48Ga3 and Tb14Cu48Ga3
journal, February 2007
- Gumenyuk, R. V.; Kuz’ma, Yu. B.
- Inorganic Materials, Vol. 43, Issue 2
New ternary phases from the R–Au–Ga systems (R = Gd-Tm)
journal, January 2014
- Verbovytskyy, Yuriy
- Chemistry of Metals and Alloys, Vol. 7, Issue 1/2
The isothermal section at 600 ∘C of the ternary Pr–Au–Sn phase diagram
journal, March 2009
- Mazzone, D.; Marazza, R.; Riani, P.
- Calphad, Vol. 33, Issue 1
Ca 14 Au 46 Sn 5 : a “Colored” Gd 14 Ag 51 -Type Structure Containing Columns of Well-Differentiated Hexagonal Gold Stars
journal, March 2011
- Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 50, Issue 5
Crystal structure and magnetic properties of novel intermetallic compounds in the Er–Cu–Ga system
journal, June 2009
- Belgacem, B.; Pasturel, M.; Tougait, O.
- Journal of Alloys and Compounds, Vol. 478, Issue 1-2
A short history of SHELX
journal, December 2007
- Sheldrick, George M.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
The Mercury-richest Europium Amalgam Eu 10 Hg 55: The Mercury-richest Europium Amalgam Eu 10 Hg 55
journal, February 2015
- Tambornino, Frank; Hoch, Constantin
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 641, Issue 3-4
Alkaline-Earth Metal Mercury Intermetallics A 11− x Hg 54+ x ( A = Ca, Sr)
journal, January 2008
- Tkachuk, Andriy V.; Mar, Arthur
- Inorganic Chemistry, Vol. 47, Issue 4
Na11Hg52: Complexity in a Polar Metal
journal, January 2012
- Hoch, Constantin; Simon, Arndt
- Angewandte Chemie International Edition, Vol. 51, Issue 13
Covalent radii revisited
journal, January 2008
- Cordero, Beatriz; Gómez, Verónica; Platero-Prats, Ana E.
- Dalton Transactions, Issue 21
Structural chemistry and magnetic behaviour of ternary gallides REPtxGa4 − x (RE ≡ La, Ce, Pr, Nd, Sm)
journal, January 1988
- Grin, Yu. N.; Rogl, P.; Hiebl, K.
- Journal of the Less Common Metals, Vol. 136, Issue 2
The low-temperature form of calcium gold stannide, CaAuSn
journal, July 2014
- Lin, Qisheng; Corbett, John D.
- Acta Crystallographica Section C Structural Chemistry, Vol. 70, Issue 8
R(Au∼0.75Sb∼0.25)2 (R=La, Ce, Pr) with UHg2 structure type, new members of the AlB2 family
journal, February 2007
- Salamakha, L. P.; Sologub, O. L.; Gonçalves, A. P.
- Journal of Alloys and Compounds, Vol. 429, Issue 1-2
Revisiting the Zintl-Klemm Concept: A2AuBi (A = Li or Na)
journal, June 2011
- Wang, Fei; Miller, Gordon J.
- European Journal of Inorganic Chemistry, Vol. 2011, Issue 26
Structural Plasticity: How Intermetallics Deform Themselves in Response to Chemical Pressure, and the Complex Structures That Result
journal, September 2014
- Berns, Veronica M.; Fredrickson, Daniel C.
- Inorganic Chemistry, Vol. 53, Issue 19
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