New transition metal-rich rare-earth palladium/platinum aluminides with RET
 5Al2 composition: structure, magnetism and 27Al NMR spectroscopy

Benndorf, Christopher; Stegemann, Frank; Eckert, Hellmut; Janka, Oliver

doi:10.1515/znb-2014-0223

Cited by 20 publications

(20 citation statements)

References 13 publications

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“…All synthesized compounds are isopointal to MgCuAl 2 , 16 which can be described as a ternary ordered version of the Re 3 B type structure. 92 86 Again these distances are in line with, e.g., binary PdAl (263 pm, CsCl type 96 ) or ternary YPdAl (259−270 pm; TiNiSi type 95 ) and YPd 5 Al 2 (256−260 pm; anti-ZrNi 2 Al 5 type 97,98 ). Finally, because of the 1:1:2 composition, bonding Al−Al contacts (268 and 289 pm) are found.…”

Section: Resultssupporting

confidence: 66%

“…The Pd–Al distances (257 and 263 pm), along with all other TM–Al distances, are significantly shorter, suggesting strong bonding interactions (vide infra) close to the sum of the covalent radii (128 + 125 = 253 pm) . Again these distances are in line with, e.g., binary PdAl (263 pm, CsCl type) or ternary YPdAl (259–270 pm; TiNiSi type) and YPd 5 Al 2 (256–260 pm; anti -ZrNi 2 Al 5 type , ). Finally, because of the 1:1:2 composition, bonding Al–Al contacts (268 and 289 pm) are found.…”

Section: Resultssupporting

confidence: 56%

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Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

et al. 2019

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A total of 35 intermetallic aluminum compounds have been synthesized from the elements via arc melting and characterized by powder X-ray diffraction. A total of 15 of them have been previously reported; however, detailed property investigations were missing. Compounds of the RETMAl2 (rare earth metal RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu) series with transition metal TM = Ni, Pd, and Pt crystallize isostructurally in the orthorhombic MgCuAl2 type structure (Cmcm, oC16, fc 2). Single-crystal X-ray diffraction investigations were conducted on YNiAl2, LaNiAl2, YPdAl2, ScPtAl2, and YPtAl2. The TM and Al atoms form a [TMAl2]δ− polyanion, the RE atoms reside in cavities within the framework. While the Sc, Y, La, and Lu compounds exhibit Pauli-paramagnetic behavior, consistent with all atoms being closed shell, the other RETMAl2 compounds show paramagnetism along with magnetic ordering at low temperatures, in line with an open-shell trivalent oxidation state for the RE atoms. Solid-state 27Al NMR investigations were carried out on the Pauli-paramagnetic samples, all showing only a single central transition, in line with one crystallographic site for the respective atoms. The observed quadrupolar coupling constants and electric-field-gradient asymmetry parameters were found to be in good agreement with the density-functional-theory-calculated values. Isotropic resonance shifts are dominated by the Fermi-contact interactions with s-conduction electron densities at the Fermi edge (Knight shifts). The bonding characteristics mirror the electronic density of states and crystal chemistry of the family of intermetallic compounds under consideration. Both the Knight shifts and quadrupolar coupling constants can be predicted based on element-specific increments.

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Section: Resultssupporting

confidence: 66%

Section: Resultssupporting

confidence: 56%

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

et al. 2019

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“…Based on these considerations, it is understandable that the 27 Al Knight shift of Na 2 Au 3 Al is higher than that of AuAl 2 . The electronegativity effect upon Knight shifts could be observed by us in previous works, especially with respect to the influence of homologous elements with different values of electronegativity in isotypic structures …”

Section: Resultsmentioning

confidence: 80%

Network Formation by Condensed Tetrahedral [Au₃Al] Units in Na₂Au₃Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride

et al. 2017

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NaAuAl, the first experimentally prepared compound in the ternary Na-Au-Al system, crystallizes in the cubic crystal system with space group P432 (a = 771.42(2) pm). It can be described as a P-centered ternary ordered variant of the F-centered Laves phase MgCu and is isostructural to MoAlC. A phase width was found for the series NaAuAl allowing a successive substitution of Au by Al. The primitive structure forms for x ≥ 0.5. NaAuAl is diamagnetic at room temperature but metallic in nature, as seen from susceptibility and electrical resistivity measurements. Band structure calculations and X-ray photoelectron spectroscopy confirm the metallic nature of the title compound as states are found at the Fermi level of the DOS, along with its "auride" character. Na andAl solid-state-NMR investigations show the existence of both a disordered (x = 0.5 and 0.75) and a fully ordered (x = 1.0) representative within this series. Both COHP and Bader charge analyses suggest the presence of strong Au-Al interactions forming an anionic [AuAl] network, with the Na cations occupying the cavities.

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“…Because all reported compounds are of a metallic nature, a distinct ionic platinide character as found in A 2 Pt (A = K [43], Rb [43], Cs [43,44]) is highly unlikely, especially when considering the three-dimensional framework with strong covalent bonding character formed by Pt and Al. Therefore, XPS measurements were performed to investigate exemplarily the platinide character of YPt 2 Al 3 along with the reference substances YPt 5 Al 2 (anti-ZrNi 2 Al 5 -type [45]), YPtAl (TiNiSi-type [31]), and elemental Pt.…”

Section: X-ray Photoelectron Spectroscopymentioning

confidence: 99%

Crystal Structure, Spectroscopic Investigations, and Physical Properties of the Ternary Intermetallic REPt2Al3 (RE = Y, Dy–Tm) and RE2Pt3Al4 Representatives (RE = Tm, Lu)

et al. 2018

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Abstract:The REPt 2 Al 3 compounds of the late rare-earth metals (RE = Y, Dy-Tm) were found to crystallize isostructural. Single-crystal X-ray investigations of YPt 2 Al 3 revealed an orthorhombic unit cell (a = 1080.73(6), b = 1871.96(9), c = 413.04(2) pm, wR2 = 0.0780, 942 F 2 values, 46 variables) with space group Cmmm (oC48; q 2 pji 2 hedb). A comparison with the Pearson database indicated that YPt 2 Al 3 forms a new structure type, in which the Pt and Al atoms form a [Pt 2 Al 3 ] δ− polyanion and the Y atoms reside in the cavities within the framework. Via a group-subgroup scheme, the relationship between the PrNi 2 Al 3 -type structure and the new YPt 2 Al 3 -type structure was illustrated. The compounds with RE = Dy-Tm were characterized by powder X-ray diffraction experiments. While YPt 2 Al 3 is a Pauli-paramagnet, the other REPt 2 Al 3 (RE = Dy-Tm) compounds exhibit paramagnetic behavior, which is in line with the rare-earth atoms being in the trivalent oxidation state. DyPt 2 Al 3 and TmPt 2 Al 3 exhibit ferromagnetic ordering at T C = 10.8(1) and 4.7(1) K and HoPt 2 Al 3 antiferromagnetic ordering at T N = 5.5(1) K, respectively. Attempts to synthesize the isostructural lutetium compound resulted in the formation of Lu 2 Pt 3 Al 4 (Ce 2 Ir 3 Sb 4 -type, Pnma, a = 1343.4(2), b = 416.41(8), c = 1141.1(2) pm), which could also be realized with thulium. The structure was refined from single-crystal data (wR2 = 0.0940, 1605 F 2 values, 56 variables). Again, a polyanion with bonding Pt-Al interactions was found, and the two distinct Lu atoms were residing in the cavities of the [Pt 3 Al 4 ] δ-framework. X-ray photoelectron spectroscopy (XPS) measurements were conducted to examine the electron transfer from the rare-earth atoms onto the polyanionic framework.

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New transition metal-rich rare-earth palladium/platinum aluminides with RET ₅Al₂ composition: structure, magnetism and ²⁷Al NMR spectroscopy

Cited by 20 publications

References 13 publications

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Network Formation by Condensed Tetrahedral [Au₃Al] Units in Na₂Au₃Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride

Crystal Structure, Spectroscopic Investigations, and Physical Properties of the Ternary Intermetallic REPt2Al3 (RE = Y, Dy–Tm) and RE2Pt3Al4 Representatives (RE = Tm, Lu)

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New transition metal-rich rare-earth palladium/platinum aluminides with RET 5Al2 composition: structure, magnetism and 27Al NMR spectroscopy

Cited by 20 publications

References 13 publications

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl2 (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl2 (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Network Formation by Condensed Tetrahedral [Au3Al] Units in Na2Au3Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride

Crystal Structure, Spectroscopic Investigations, and Physical Properties of the Ternary Intermetallic REPt2Al3 (RE = Y, Dy–Tm) and RE2Pt3Al4 Representatives (RE = Tm, Lu)

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New transition metal-rich rare-earth palladium/platinum aluminides with RET ₅Al₂ composition: structure, magnetism and ²⁷Al NMR spectroscopy

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Correlations of Crystal and Electronic Structure via NMR and X-ray Photoelectron Spectroscopies in the RETMAl₂ (RE = Sc, Y, La–Nd, Sm, Gd–Tm, Lu; TM = Ni, Pd, Pt) Series

Network Formation by Condensed Tetrahedral [Au₃Al] Units in Na₂Au₃Al: Crystal and Electronic Structure, Spectroscopic Investigations, and Physical Properties of an Ordered Ternary Auride