From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure
Abstract
The ternary Eu(Au/In)2 (EuAu0.46In1.54(2)) (I), EuAu4(Au/In)2 (EuAu4+xIn2–x with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu2-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl4Mo2-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squared Au8 prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu2–“EuAu4In2”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu4(Au/In)2” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu5In” and “EuAu4In2” models employedmore »
- Authors:
-
- Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)
- Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1239154
- Report Number(s):
- IS-J-8788
Journal ID: ISSN 0020-1669
- Grant/Contract Number:
- AC02-07CH11358
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 54; Journal Issue: 17; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Steinberg, Simon, Card, Nathan, and Mudring, Anja -Verena. From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure. United States: N. p., 2015.
Web. doi:10.1021/acs.inorgchem.5b00257.
Steinberg, Simon, Card, Nathan, & Mudring, Anja -Verena. From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure. United States. https://doi.org/10.1021/acs.inorgchem.5b00257
Steinberg, Simon, Card, Nathan, and Mudring, Anja -Verena. Thu .
"From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure". United States. https://doi.org/10.1021/acs.inorgchem.5b00257. https://www.osti.gov/servlets/purl/1239154.
@article{osti_1239154,
title = {From the ternary Eu(Au/In)2 and EuAu4(Au/In)2 with remarkable Au/In distributions to a new structure type: The gold-rich Eu5Au16(Au/In)6 structure},
author = {Steinberg, Simon and Card, Nathan and Mudring, Anja -Verena},
abstractNote = {The ternary Eu(Au/In)2 (EuAu0.46In1.54(2)) (I), EuAu4(Au/In)2 (EuAu4+xIn2–x with x = 0.75(2) (II), 0.93(2), and 1.03(2)), and Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (III) have been synthesized, and their structures were characterized by single-crystal X-ray diffraction. I and II crystallize with the CeCu2-type (Pearson Symbol oI12; Imma; Z = 4; a = 4.9018(4) Å; b = 7.8237(5) Å; c = 8.4457(5) Å) and the YbAl4Mo2-type (tI14; I4/mmm; Z = 2; a = 7.1612(7) Å; c = 5.5268(7) Å) and exhibit significant Au/In disorder. I is composed of an Au/In-mixed diamond-related host lattice encapsulating Eu atoms, while the structure of II features ribbons of distorted, squared Au8 prisms enclosing Eu, Au, and In atoms. Combination of these structural motifs leads to a new structure type as observed for Eu5Au16(Au/In)6 (Eu5Au17.29In4.71(3)) (oS108; Cmcm; Z = 4; a = 7.2283(4) Å; b = 9.0499(6) Å; c = 34.619(2) Å), which formally represents a one-dimensional intergrowth of the series EuAu2–“EuAu4In2”. The site preferences of the disordered Au/In positions in II were investigated for different hypothetical “EuAu4(Au/In)2” models using the projector-augmented wave method and indicate that these structures attempt to optimize the frequencies of the heteroatomic Au–In contacts. Furthermore, a chemical bonding analysis on two “EuAu5In” and “EuAu4In2” models employed the TB-LMTO-ASA method and reveals that the subtle interplay between the local atomic environments and the bond energies determines the structural and site preferences for these systems.},
doi = {10.1021/acs.inorgchem.5b00257},
journal = {Inorganic Chemistry},
number = 17,
volume = 54,
place = {United States},
year = {Thu Aug 13 00:00:00 EDT 2015},
month = {Thu Aug 13 00:00:00 EDT 2015}
}
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Works referenced in this record:
Exploratory Synthesis: The Fascinating and Diverse Chemistry of Polar Intermetallic Phases † † This article is based on J. D. Corbett’s address upon receipt of the 2008 American Chemical Society’s F. Albert Cotton Award in Synthetic Inorganic Chemistry sponsored by the F. Albert Cotton Endowment Fund.
journal, January 2010
- Corbett, John D.
- Inorganic Chemistry, Vol. 49, Issue 1
Relativistic effects in structural chemistry
journal, May 1988
- Pyykko, Pekka
- Chemical Reviews, Vol. 88, Issue 3
Theoretical Chemistry of Gold
journal, August 2004
- Pyykkö, Pekka
- Angewandte Chemie International Edition, Vol. 43, Issue 34
Centric and Non-centric Ca 3 Au ∼7.5 Ge ∼3.5 : Electron-Poor Derivatives of La 3 Al 11 . Syntheses, Structures, and Bonding Analyses
journal, June 2009
- Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 48, Issue 12
Exploratory Syntheses and Structures of SrAu 4.3 In 1.7 and CaAg 3.5 In 1.9 : Electron-Poor Intermetallics with Diversified Polyanionic Frameworks That Are Derived from the CaAu 4 In 2 Approximant
journal, November 2011
- Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 50, Issue 21
BaAu x Zn 13– x : Electron-Poor Cubic NaZn 13 -Type Intermetallic and Its Ordered Tetragonal Variant
journal, January 2012
- Gupta, Shalabh; Corbett, John D.
- Inorganic Chemistry, Vol. 51, Issue 4
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
Development of an Icosahedral Quasicrystal and Two Approximants in the Ca−Au−Sn System: Syntheses and Structural Analyses
journal, November 2010
- Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 49, Issue 22
Conventional and Stuffed Bergman-Type Phases in the Na–Au–T (T = Ga, Ge, Sn) Systems: Syntheses, Structures, Coloring of Cluster Centers, and Fermi Sphere–Brillouin Zone Interactions
journal, August 2012
- Lin, Qisheng; Smetana, Volodymyr; Miller, Gordon J.
- Inorganic Chemistry, Vol. 51, Issue 16
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
Disorder–Order Structural Transformation in Electron-Poor Sr 3 Au 8 Sn 3 Driven by Chemical Bonding Optimization
journal, May 2013
- Lin, Qisheng; Vetter, Jordan; Corbett, John D.
- Inorganic Chemistry, Vol. 52, Issue 11
Gold Network Structures in Rhombohedral and Monoclinic Sr 2 Au 6 (Au,T) 3 (T = Zn, Ga). A Transition via Relaxation
journal, November 2013
- Mishra, Trinath; Lin, Qisheng; Corbett, John D.
- Inorganic Chemistry, Vol. 52, Issue 23
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
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
Synthesis and structure of CaAu2 and SrAu2
journal, March 1996
- Zachwieja, Uwe
- Journal of Alloys and Compounds, Vol. 235, Issue 1
On the occurrence of the MX2 phases of the rare earths with the IB, IIB and IIIB group elements and their crystal structures
journal, July 1968
- Iandelli, A.; Palenzona, A.
- Journal of the Less Common Metals, Vol. 15, Issue 3
Infinite Linear Zinc Chains in A Au 4 Zn 2 ( A = Ca, Ce, Pr, Nd) with YbAl 4 Mo 2 Type Structure : Linear Zinc Chains in
journal, July 2013
- Gerke, Birgit; Niehaus, Oliver; Hoffmann, Rolf-Dieter
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 639, Issue 14
Pronounced matrix effect in YbMo2Al4-type Ca(AuxZn2−x)Au4 (x=0.09–0.89)
journal, October 2014
- Mishra, Trinath; Lin, Qisheng; Corbett, John D.
- Journal of Solid State Chemistry, Vol. 218
Crystal structure of the ternary R.E.Mo2Al4 phases (R.E. = Gd, Er, Yb)
journal, February 1976
- Fornasini, M. L.; Palenzona, A.
- Journal of the Less Common Metals, Vol. 45, Issue 1
SrAu4.76In1.24 with YbMo2Al4-type Structure
journal, January 2011
- Muts, I.; Matar, S. F.; Rodewald, U. Ch.
- Zeitschrift für Naturforschung B, Vol. 66
Linear infinite cadmium chains in CaAu4Cd2 and other intermetallics with YbMo2Al4-type structure
journal, February 2013
- Tappe, Frank; Matar, Samir F.; Schwickert, Christian
- Monatshefte für Chemie - Chemical Monthly, Vol. 144, Issue 6
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
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
Approximants in the Ag–In– M and Au–Sn– M ( M = Ca or Rare Earth Metals) Systems
journal, October 2008
- Morita, Yoshiki; Tsai, An Pang
- Japanese Journal of Applied Physics, Vol. 47, Issue 10
Structure and Properties of Sr2Au3In4 and Eu2Au3In4
journal, June 1999
- Hoffmann, Rolf-Dieter; Pöttgen, Rainer; Rosenhahn, Carsten
- Journal of Solid State Chemistry, Vol. 145, Issue 1
Synthesis, structure and properties of SrAu3In3 and EuAu3In3—New indides with gold zig-zag chains
journal, August 2007
- Muts, Ihor R.; Schappacher, Falko M.; Hermes, Wilfried
- Journal of Solid State Chemistry, Vol. 180, Issue 8
Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu 2 In 4 and EuAuIn 4
journal, August 2013
- Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.
- Crystal Growth & Design, Vol. 13, Issue 10
The Gold-rich Indide Eu5Au17.7In4.3 and its Relation with the Structures of SrAu4.76In1.24 and BaLi4
journal, January 2012
- Muts, I.; Rodewald, U. C.; Zaremba, V. I.
- Zeitschrift für Naturforschung B, Vol. 67
An empirical correction for absorption anisotropy
journal, January 1995
- Blessing, R. H.
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 51, Issue 1
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
Structure validation in chemical crystallography
journal, January 2009
- Spek, Anthony L.
- Acta Crystallographica Section D Biological Crystallography, Vol. 65, Issue 2, p. 148-155
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Explicit, First-Principles Tight-Binding Theory
journal, December 1984
- Andersen, O. K.; Jepsen, O.
- Physical Review Letters, Vol. 53, Issue 27
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
journal, August 1993
- Dronskowski, Richard; Bloechl, Peter E.
- The Journal of Physical Chemistry, Vol. 97, Issue 33
Minimal basis sets in the linear muffin-tin orbital method: Application to the diamond-structure crystals C, Si, and Ge
journal, August 1986
- Lambrecht, Walter R. L.; Andersen, O. K.
- Physical Review B, Vol. 34, Issue 4
Gold Derivatives of Eight Rare-Earth-Metal-Rich Tellurides: Monoclinic R 7 Au 2 Te 2 and Orthorhombic R 6 AuTe 2 Types
journal, February 2012
- Chai, Ping; Corbett, John D.
- Inorganic Chemistry, Vol. 51, Issue 6
Contrasts in Structural and Bonding Representations among Polar Intermetallic Compounds. Strongly Differentiated Hamilton Populations for Three Related Condensed Cluster Halides of the Rare-Earth Elements
journal, November 2010
- Gupta, Shalabh; Meyer, Gerd; Corbett, John D.
- Inorganic Chemistry, Vol. 49, Issue 21
Electron Counting Rules and Electronic Structure in Tetrameric Transition-Metal (T)-Centered Rare-Earth (R) Cluster Complex Halides (X)
journal, November 2014
- Steinberg, Simon; Bell, Thomas; Meyer, Gerd
- Inorganic Chemistry, Vol. 54, Issue 3
Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994
- Blöchl, Peter E.; Jepsen, O.; Andersen, O. K.
- Physical Review B, Vol. 49, Issue 23
The crystal structure of CeCu2
journal, January 1961
- Larson, A. C.; Cromer, D. T.
- Acta Crystallographica, Vol. 14, Issue 1
MX2-Verbindungen der Erdalkali- und Seltenen Erdmetalle mit Gallium, Indium und Thallium
journal, July 1964
- Iandelli, A.
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 330, Issue 3-4
Substitution of Au or Hg into BaTl 2 and BaIn 2 . New Ternary Examples of Smaller CeCu 2 -Type Intermetallic Phases
journal, March 2006
- Dai, Jing-Cao; Corbett, John D.
- Inorganic Chemistry, Vol. 45, Issue 5
Structure, Chemical Bonding, Magnetic Susceptibility, and155Gd Mössbauer Spectroscopy of the Antiferromagnets GdAgGe, GdAuGe, GdAu0.44(1)In1.56(1), and GdAuIn
journal, December 1998
- Pöttgen, Rainer; Kotzyba, Gunter; Görlich, Edward A.
- Journal of Solid State Chemistry, Vol. 141, Issue 2
Bin�re Indide AInx (x = 1, 2, 4; A = Ca, Sr, Ba, K, Rb) - Untersuchungen zu Strukturchemie und chemischer Bindung
journal, February 2005
- Wendorff, Marco; R�hr, Caroline
- Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 631, Issue 2-3
Crystal structure and magnetic properties of Cu-rich Ce–Mn–Cu intermetallics
journal, October 2004
- Manfrinetti, P.; Fornasini, M. L.; Mazzone, D.
- Journal of Alloys and Compounds, Vol. 379, Issue 1-2
Synthesis and Crystallochemical Characterisation of the Intermetallic Phases La(Ag x Mg 1- x ) 12 (0.11 ≤ x ≤ 0.21), LaAg 4+ x Mg 2- x (-0.15 ≤ x ≤ 1.05) and LaAg 2+ x Mg 2- x (0 < x ≤ 0.45)
journal, September 2012
- Solokha, Pavlo; De Negri, Serena; Pavlyuk, Volodymyr
- European Journal of Inorganic Chemistry, Vol. 2012, Issue 30
On the ternary RE Mg1–Al2 (RE = Gd – Tm), RE3Ag5±Mg11±, REAg4+Mg2–, RE4Ag10.3Mg12 and RE4Ag10+Mg3– (RE = Ce – Nd, Sm) phases
journal, February 2015
- Verbovytskyy, Yuriy; Gonçalves, António Pereira
- Solid State Sciences, Vol. 40
An Application of the “Coloring Problem”: Structure−Composition−Bonding Relationships in the Magnetocaloric Materials LaFe 13 - x Si x
journal, January 2008
- Han, Mi-Kyung; Miller, Gordon J.
- Inorganic Chemistry, Vol. 47, Issue 2
Theoretical Interpretation of the Structural Variations along the Eu(Zn 1− x Ge x ) 2 (0 ≤ x ≤ 1) Series
journal, July 2009
- You, Tae-Soo; Miller, Gordon J.
- Inorganic Chemistry, Vol. 48, Issue 14
EuAg x Al 11− x with the BaHg 11 -Type Structure: Composition, Coloring, and Competition with the BaCd 11 -Type Structure
journal, January 2010
- Wang, Fei; Pearson, Karen N.; Straszheim, Warren E.
- Chemistry of Materials, Vol. 22, Issue 5
EuAg x Al 11− x with the BaCd 11 -Type Structure: Phase Width, Coloring, and Electronic Structure
journal, January 2009
- Wang, Fei; Pearson, Karen Nordell; Miller, Gordon J.
- Chemistry of Materials, Vol. 21, Issue 2
High-throughput electronic band structure calculations: Challenges and tools
journal, August 2010
- Setyawan, Wahyu; Curtarolo, Stefano
- Computational Materials Science, Vol. 49, Issue 2
Electronic structure and magnetism of EuTiO 3 : a first-principles study
journal, September 2007
- Ranjan, Rajeev; Sadat Nabi, Hasan; Pentcheva, Rossitza
- Journal of Physics: Condensed Matter, Vol. 19, Issue 40
Chemical bonding in EuTGe (T=Ni, Pd, Pt) and physical properties of EuPdGe
journal, February 2007
- Rocquefelte, Xavier; Gautier, Régis; Halet, Jean-François
- Journal of Solid State Chemistry, Vol. 180, Issue 2
The “Coloring Problem” in Solids: How It Affects Structure, Composition and Properties
journal, May 1998
- Miller, Gordon J.
- European Journal of Inorganic Chemistry, Vol. 1998, Issue 5
E cov - a new tool for the analysis of electronic structure data in a chemical language
journal, January 1999
- Börnsen, N.; Meyer, B.; Grotheer, O.
- Journal of Physics: Condensed Matter, Vol. 11, Issue 25
Identifying a Structural Preference in Reduced Rare-Earth Metal Halides by Combining Experimental and Computational Techniques
journal, October 2012
- Steinberg, Simon; Brgoch, Jakoah; Miller, Gordon J.
- Inorganic Chemistry, Vol. 51, Issue 21
Late transition metal anions acting as p-metal elements
journal, April 2008
- Köhler, Jürgen; Whangbo, Myung-Hwan
- Solid State Sciences, Vol. 10, Issue 4
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- Göbgen, Kai C.; Fries, Kai S.; Gladisch, Fabian C.
- Inorganics, Vol. 7, Issue 6
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journal, February 2020
- Paulsen, Christian; Block, Theresa; Benndorf, Christopher
- Zeitschrift für Naturforschung B, Vol. 75, Issue 1-2
Antiferromagnetic semiconductor Eu 3 Sn 2 P 4 with Sn–Sn dimer and crown-wrapped Eu
journal, January 2019
- Blawat, Joanna; Swatek, Przemyslaw; Gui, Xin
- Journal of Materials Chemistry C, Vol. 7, Issue 40
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text, January 2018
- Steinberg, Simon; Dronskowski, Richard
- RWTH Aachen University
Revealing the Nature of Bonding in Rare-Earth Transition-Metal Tellurides by Means of Methods Based on First Principles: Revealing the Nature of Bonding in Rare-Earth Transition-Metal Tellurides by Means of Methods Based on First Principles
journal, July 2017
- Gladisch, Fabian C.; Steinberg, Simon
- European Journal of Inorganic Chemistry, Vol. 2017, Issue 28
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- RWTH Aachen University
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