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
Abstract
Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y = 0.9) (I), BaAu6±xAl6±y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104–112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (“coloring scheme”). Chemical bonding analyses for two different “EuAu6Tr6” models reveal maximization of the number of heteroatomic Au–Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculationsmore »
- Authors:
-
- Iowa State Univ., Ames, IA (United States)
- Publication Date:
- Research Org.:
- Ames Lab., Ames, IA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1234462
- Report Number(s):
- IS-J-8872
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: 21; 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; complex intermetallics; coloring schemes; structural preferences; magnetism
Citation Formats
Smetana, Volodymyr, Steinberg, Simon, Mudryk, Yaroslav, Pecharsky, Vitalij, Miller, Gordon J., and Mudring, Anja -Verena. 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. United States: N. p., 2015.
Web. doi:10.1021/acs.inorgchem.5b01633.
Smetana, Volodymyr, Steinberg, Simon, Mudryk, Yaroslav, Pecharsky, Vitalij, Miller, Gordon J., & Mudring, Anja -Verena. 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. United States. https://doi.org/10.1021/acs.inorgchem.5b01633
Smetana, Volodymyr, Steinberg, Simon, Mudryk, Yaroslav, Pecharsky, Vitalij, Miller, Gordon J., and Mudring, Anja -Verena. Mon .
"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". United States. https://doi.org/10.1021/acs.inorgchem.5b01633. https://www.osti.gov/servlets/purl/1234462.
@article{osti_1234462,
title = {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},
author = {Smetana, Volodymyr and Steinberg, Simon and Mudryk, Yaroslav and Pecharsky, Vitalij and Miller, Gordon J. and Mudring, Anja -Verena},
abstractNote = {Four complex intermetallic compounds BaAu6±xGa6±y (x = 1, y = 0.9) (I), BaAu6±xAl6±y (x = 0.9, y = 0.6) (II), EuAu6.2Ga5.8 (III), and EuAu6.1Al5.9 (IV) have been synthesized, and their structures and homogeneity ranges have been determined by single crystal and powder X-ray diffraction. Whereas I and II originate from the NaZn13-type structure (cF104–112, Fm3C), III (tP52, P4/nbm) is derived from the tetragonal Ce2Ni17Si9-type, and IV (oP104, Pbcm) crystallizes in a new orthorhombic structure type. Both I and II feature formally anionic networks with completely mixed site occupation by Au and triel (Tr = Al, Ga) atoms, while a successive decrease of local symmetry from the parental structures of I and II to III and, ultimately, to IV correlates with increasing separation of Au and Tr on individual crystallographic sites. Density functional theory-based calculations were employed to determine the crystallographic site preferences of Au and the respective triel element to elucidate reasons for the atom distribution (“coloring scheme”). Chemical bonding analyses for two different “EuAu6Tr6” models reveal maximization of the number of heteroatomic Au–Tr bonds as the driving force for atom organization. The Fermi levels fall in broad pseudogaps for both models allowing some electronic flexibility. Spin-polarized band structure calculations on the “EuAu6Tr6” models hint to singlet ground states for europium and long-range magnetic coupling for both EuAu6.2Ga5.8 (III) and EuAu6.1Al5.9 (IV). This is substantiated by experimental evidence because both compounds show nearly identical magnetic behavior with ferromagnetic transitions at TC = 6 K and net magnetic moments of 7.35 μB/f.u. at 2 K. As a result, the effective moments of 8.3 μB/f.u., determined from Curie–Weiss fits, point to divalent oxidation states for europium in both III and IV.},
doi = {10.1021/acs.inorgchem.5b01633},
journal = {Inorganic Chemistry},
number = 21,
volume = 54,
place = {United States},
year = {Mon Oct 19 00:00:00 EDT 2015},
month = {Mon Oct 19 00:00:00 EDT 2015}
}
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Works referenced in this record:
Properties- and applications of quasicrystals and complex metallic alloys
journal, January 2012
- Dubois, Jean-Marie
- Chemical Society Reviews, Vol. 41, Issue 20
Electrical and thermal transport properties of icosahedral and decagonal quasicrystals
journal, January 2012
- Dolinšek, Janez
- Chemical Society Reviews, Vol. 41, Issue 20
Complex thermoelectric materials
journal, February 2008
- Snyder, G. Jeffrey; Toberer, Eric S.
- Nature Materials, Vol. 7, Issue 2, p. 105-114
Plastic-deformation mechanism in complex solids
journal, February 2010
- Heggen, M.; Houben, L.; Feuerbacher, M.
- Nature Materials, Vol. 9, Issue 4
Magnetism in Giant Unit Cells - Crystal Structure and Magnetic Properties of R117Co52+δSn112+γ (R = Sm, Tb, Dy)
journal, May 2011
- Kovnir, Kirill; Shatruk, Michael
- European Journal of Inorganic Chemistry, Vol. 2011, Issue 26
Structural disorder and magnetism in rare-earth (R) R117Co54+xSn112±y
journal, April 2013
- Mudryk, Y.; Manfrinetti, P.; Smetana, V.
- Journal of Alloys and Compounds, Vol. 557
Probing the Lower Limit of Lattice Thermal Conductivity in an Ordered Extended Solid: Gd 117 Co 56 Sn 112 , a Phonon Glass–Electron Crystal System
journal, March 2012
- Schmitt, Devin C.; Haldolaarachchige, Neel; Xiong, Yimin
- Journal of the American Chemical Society, Vol. 134, Issue 13
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
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
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
Polyclusters and Substitution Effects in the Na–Au–Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics
journal, October 2013
- Smetana, Volodymyr; Miller, Gordon J.; Corbett, John D.
- Inorganic Chemistry, Vol. 52, Issue 21
Three Alkali-Metal–Gold–Gallium Systems. Ternary Tunnel Structures and Some Problems with Poorly Ordered Cations
journal, April 2012
- Smetana, Volodymyr; Miller, Gordon J.; Corbett, John D.
- Inorganic Chemistry, Vol. 51, Issue 14
Gold Tetrahedra as Building Blocks in K 3 Au 5 Tr (Tr = In, Tl) and Rb 2 Au 3 Tl and in Other Compounds: A Broad Group of Electron-Poor Intermetallic Phases
journal, July 2009
- Li, Bin; Kim, Sung-Jin; Miller, Gordon J.
- Inorganic Chemistry, Vol. 48, Issue 14
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
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
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
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
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
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
Mixed Valent Gold Oxides: Syntheses, Structures, and Properties of Rb5Au3O2, Rb7Au5O2, and Cs7Au5O2
journal, November 2000
- Mudring, Anja-Verena; Nuss, Jürgen; Wedig, Ulrich
- Journal of Solid State Chemistry, Vol. 155, Issue 1
Base-Induced Disproportionation of Elemental Gold
journal, September 2000
- Mudring, Anja-Verena; Jansen, Martin
- Angewandte Chemie, Vol. 39, Issue 17
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
Localized Charge Transfer in CsAu·NH 3 : 1 H and 133 Cs Nuclear Magnetic Resonance
journal, May 2003
- Krämer, Steffen; Mehring, Michael; Mudring, Anja-Verena
- The Journal of Physical Chemistry B, Vol. 107, Issue 21
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
Theoretical Chemistry of Gold
journal, August 2004
- Pyykkö, Pekka
- Angewandte Chemie International Edition, Vol. 43, Issue 34
Relativistic effects in structural chemistry
journal, May 1988
- Pyykko, Pekka
- Chemical Reviews, Vol. 88, Issue 3
Neue Ga-Cluster-Verbände im Na 7 Ga 13 -II / New Ga-Cluster Compounds: The Structure of Na 7 Ga 13 -II
journal, February 1982
- Frank-Cordier, Ursula; Cordier, Gerhard; Schäfer, Herbert
- Zeitschrift für Naturforschung B, Vol. 37, Issue 2
Synthesis, characterization, and bonding of indium clusters: Na7In11.8, a novel network structure containing closo-In16 and nido-In11 clusters
journal, May 1992
- Sevov, Slavi C.; Corbett, John D.
- Inorganic Chemistry, Vol. 31, Issue 10
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
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
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
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
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
Sign of canted ferromagnetism in the quasicrystal approximants Au-SM-R (SM = Si, Ge and Sn / R = Tb, Dy and Ho)
journal, May 2014
- Hiroto, T.; Tokiwa, K.; Tamura, R.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 21
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
Complex Polyanionic Nets in RbAu 4.01(2) Ga 8.64(5) and CsAu 5 Ga 9 : The Role of Cations in the Formation of New Polar Intermetallics : Complex Polyanionic Nets in RbAu
journal, February 2014
- Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 640, Issue 5
The Crystal Structure of Alloys of Zinc with the Alkali and Alkaline Earth Metals and of Cadmium with Potassium
journal, August 1937
- Ketelaar, J. A. A.
- The Journal of Chemical Physics, Vol. 5, Issue 8
Synthesis and Crystal Structure of LiZn13
journal, June 2010
- Fischer, Dieter; Jansen, Martin
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 636, Issue 11
The crystal structure of RbZn 13
journal, April 1971
- Bruzzone, G.
- Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 27, Issue 4
Synthesis and characterization of
journal, November 2005
- Bailey, Mark S.; McGuire, Michael A.; DiSalvo, Francis J.
- Journal of Solid State Chemistry, Vol. 178, Issue 11
Structure of LaFe 9 Si 4 intermetallic compound
journal, October 1994
- Tang, Wei‐hua; Liang, Jing‐kui; Chen, Xiao‐long
- Journal of Applied Physics, Vol. 76, Issue 7
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
A New[Ni7] Cluster in LaNi7In6 and Distortedbcc Indium Cubes in LaNiIn4
journal, December 2001
- Kalychak, Yaroslav M.; Zaremba, Vasyl′ I.; Galadzhun, Yaroslav V.
- Chemistry - A European Journal, Vol. 7, Issue 24
∞1[Cu7] Cluster in SrCu7In6— Synthesis and Structure Refinement of a Twinned Crystal
journal, January 2003
- Zaremba, Vasyl' I.; Muts, Ihor R.; Hoffmann, Rolf-Dieter
- Zeitschrift für anorganische und allgemeine Chemie, Vol. 629, Issue 1213
SrNi 7.90(8) In 5.10(8) – a new superstructure in the NaZn 13 family
journal, September 2009
- Hoffmann, Rolf-Dieter; Muts, Ihor; Zaremba, Vasyl
- Zeitschrift für Kristallographie, Vol. 224, Issue 9
Structure and magnetic properties of EuNi7+xIn6−x
journal, June 2006
- Zaremba, Vasyl' I.; Kaczorowski, Dariusz; Muts, Ihor R.
- Solid State Sciences, Vol. 8, Issue 6
New tetragonal derivatives of cubic NaZn13-type structure: RNi6Si6 compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)
journal, February 2014
- Pani, M.; Manfrinetti, P.; Provino, A.
- Journal of Solid State Chemistry, Vol. 210, Issue 1
Polar binary Zn/Cd-rich intermetallics: Synthesis, crystal and electronic structure of A(Zn/Cd)13 (A = alkali/alkaline earth) and Cs1.34Zn16
journal, September 2006
- Wendorff, Marco; Röhr, Caroline
- Journal of Alloys and Compounds, Vol. 421, Issue 1-2
Crystal Growth, Structure, and Physical Properties of Ln (Cu,Ga) 13− x ( Ln = La−Nd, Eu; x ≈ 0.2)
journal, July 2009
- Cho, Jung Young; Thomas, Evan L.; Nambu, Yusuke
- Chemistry of Materials, Vol. 21, Issue 14
Zinc-deficiency in intermetallics with the NaZn13 type
journal, September 2008
- Saparov, Bayrammurad; Bobev, Svilen
- Journal of Alloys and Compounds, Vol. 463, Issue 1-2
Crystallographic and magnetic behaviour of RCu9Sn4 and RCu9.4Sn3.6 (R=La to Nd) compounds
journal, April 2001
- Singh, Surjeet; Fornasini, M. L.; Manfrinetti, P.
- Journal of Alloys and Compounds, Vol. 317-318
Recent developments in magnetocaloric materials
journal, May 2005
- Gschneidner, K. A.; Pecharsky, V. K.; Tsokol, A. O.
- Reports on Progress in Physics, Vol. 68, Issue 6, p. 1479-1539
Study of the critical behaviour of the magnetization and electrical resistivity in cubic La(Fe, Si)13 compounds
journal, April 1983
- Palstra, T. T. M.; Mydosh, J. A.; Nieuwenhuys, G. J.
- Journal of Magnetism and Magnetic Materials, Vol. 36, Issue 3
Influence of negative lattice expansion and metamagnetic transition on magnetic entropy change in the compound LaFe11.4Si1.6
journal, June 2001
- Hu, Feng-xia; Shen, Bao-gen; Sun, Ji-rong
- Applied Physics Letters, Vol. 78, Issue 23
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
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
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
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
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
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
Dimensional analysis of phases having the BaCd 11 , NaZn 13 and BaHg 11 structures: study of the influence of variable atomic parameters on changes of unit-cell dimensions
journal, January 1980
- Pearson, W. B.
- Zeitschrift für Kristallographie, Vol. 152, Issue 1-2
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
Late transition metal anions acting as p-metal elements
journal, April 2008
- Köhler, Jürgen; Whangbo, Myung-Hwan
- Solid State Sciences, Vol. 10, Issue 4
Electronegativity values from thermochemical data
journal, June 1961
- Allred, A. L.
- Journal of Inorganic and Nuclear Chemistry, Vol. 17, Issue 3-4
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journal, May 2019
- Göbgen, Kai C.; Fries, Kai S.; Gladisch, Fabian C.
- Inorganics, Vol. 7, Issue 6
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text, January 2018
- Steinberg, Simon; Dronskowski, Richard
- RWTH Aachen University
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journal, January 2018
- Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.
- Journal of Materials Chemistry C, Vol. 6, Issue 6
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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text, January 2018
- Gladisch, Fabian C.; Steinberg, Simon
- RWTH Aachen University
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text, January 2019
- Göbgen, Kai C.; Fries, Kai S.; Gladisch, Fabian C.
- RWTH Aachen University
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journal, May 2018
- Steinberg, Simon; Dronskowski, Richard
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