Chemische Bindungen ‐ intermetallische Verbindungen

Nesper, Reinhard

doi:10.1002/ange.19911030709

Cited by 99 publications

(44 citation statements)

References 147 publications

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“…[37] This contrasts with aluminides, in which a rich crystal chemistry is observed but without a tendency towards similarity to the elemental fcc aluminium structure. [38] …”

Section: Introductionmentioning

confidence: 97%

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Hoffmann

Pöttgen

2000

Chem. Eur. J.

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The title compounds were prepared from the elements by reactions in water-cooled glassy carbon crucibles under an argon atmosphere in a high-frequency furnace. CaPdIn4 crystallizes with the YNiAl4-type structure: Cmcm, a=446.7(3), b=1665(1), c=754.3(5) pm, wR2=0.0465 with 646 F2 values and 24 variables. The structure is built up from a complex three-dimensional [PdIn4] polyanion in which the calcium atoms occupy distorted pentagonal tubes formed by indium and palladium atoms. CaRhIn4 and CaIrIn4 adopt the LaCoAl4-type structure: Pmma, a=867.6(1), b=422.91(8), c=745.2(1) pm, wR2=0.0583 with 468 F2 values and 24 variables for CaRhIn4; a=869.5(1), b=424.11(6), c=746.4(1) pm, wR2= 0.0614 471 F2 values with 24 variables for CaIrIn4. This structure type, too, has a three-dimensional [RhIn4] polyanion which is related to the structure of binary RhIn3. The calcium atoms fill distorted pentagonal prismatic channels formed by indium atoms. Semi-empirical band structure calculations for Ca-RhIn4 and CaPdIn4 reveal strongly bonding In-In, Rh-In and Pd-In interactions but weaker Ca-Rh, Ca-Pd and Ca-In interactions. CaRhIn4 and Ca-PdIn4 are compared with other indium-rich compounds such as YCoIn5 and Y2CoIn8, and with elemental indium. Common structural motifs of the indium-rich compounds are distorted bcc-like indium cubes.

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“…[37] This contrasts with aluminides, in which a rich crystal chemistry is observed but without a tendency towards similarity to the elemental fcc aluminium structure. [38] …”

Section: Introductionmentioning

confidence: 97%

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Hoffmann

Pöttgen

2000

Chem. Eur. J.

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“…Several concepts based on quantities such as valence electron concentration or atomic radii have been used for classification, but chemical bonding -even in simple structure types -is often elusive. [1] In intermetallic compounds of elements with strongly different electronegativity, structural motifs can often be understood applying the Zintl-Klemm concept. [1,2] Striking examples are intermetallic clathrates with frameworks based on p-block elements such as K 8 Ge 44 ᮀ 2 [3] or Ba 8 Ge 30 Ga 16 .…”

Section: Introductionmentioning

confidence: 99%

“…[1] In intermetallic compounds of elements with strongly different electronegativity, structural motifs can often be understood applying the Zintl-Klemm concept. [1,2] Striking examples are intermetallic clathrates with frameworks based on p-block elements such as K 8 Ge 44 ᮀ 2 [3] or Ba 8 Ge 30 Ga 16 . [4] In these compounds the connection of the four-bonded framework atoms may be described by means of covalent interaction of sp 3 -type atomic orbitals.…”

Section: Introductionmentioning

confidence: 99%

Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba₃Ge₁₆Ir₄

Nguyen

Prots

Schnelle

et al. 2014

Zeitschrift anorg allge chemie

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Abstract. The cage compound Ba 3 Ge 16 Ir 4 crystallizes with the Ba 3 Ge 16 Rh 4 type of crystal structure, which represents a hierarchical derivative of the BaAl 4 type. The crystal structure [Pearson symbol tI46, space group I4/mmm; a = 6.5312(2) Å, c = 22.2845(6) Å] was refined from single-crystal X-ray diffraction data. The phase was obtained after 10 d at 910°C with small impurities of clathrate-I,

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“…This is accompanied by a still-limited understanding of the chemical bonding in these materials. [1,2] Strategies for the systematic investigation of intermetallic compounds are needed. They are expected to be sensitive to the chemical bonding and to the local atomic arrangements because structural disorder is frequently observed in intermetallic phases.…”

Section: Introductionmentioning

confidence: 99%

NMR Spectroscopy of Intermetallic Compounds: An Experimental and Theoretical Approach to Local Atomic Arrangements in Binary Gallides

Haarmann

Koch

Jeglič

et al. 2011

Chemistry A European J

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The results of the investigation of MGa(2) with M = Ca, Sr, Ba and of MGa(4) with M = Na, Ca, Sr, Ba by a combined application of NMR spectroscopy and quantum mechanical calculations are comprehensively evaluated. The electric-field gradient (EFG) was identified as the most reliable measure to study intermetallic compounds, since it is accessible with high precision by quantum mechanical calculations and, for nuclear spin I>1/2, by NMR spectroscopy. The EFG values obtained by NMR spectroscopy and quantum mechanical calculations agree very well for both series of investigated compounds. A deconvolution of the calculated EFGs into their contributions reveals its sensitivity to the local environment of the atoms. The EFGs of the investigated di- and tetragallides are dominated by the population of the p(x)-, p(y)-, and p(z)-like states of the Ga atoms. A general combined approach for the investigation of disordered intermetallic compounds by application of diffraction methods, NMR spectroscopy, and quantum mechanical calculations is suggested. This scheme can also be applied to other classes of crystalline disordered inorganic materials.

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Chemische Bindungen ‐ intermetallische Verbindungen

Cited by 99 publications

References 147 publications

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba₃Ge₁₆Ir₄

NMR Spectroscopy of Intermetallic Compounds: An Experimental and Theoretical Approach to Local Atomic Arrangements in Binary Gallides

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Chemische Bindungen ‐ intermetallische Verbindungen

Cited by 99 publications

References 147 publications

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Distortedbcc Indium Cubes as Structural Motifs in Ca[TIn4] (T=Rh, Pd, Ir)

Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba3Ge16Ir4

NMR Spectroscopy of Intermetallic Compounds: An Experimental and Theoretical Approach to Local Atomic Arrangements in Binary Gallides

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Preparation, Crystal Structure and Physical Properties of the Superconducting Cage Compound Ba₃Ge₁₆Ir₄