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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Ipser, Herbert
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (23/23 displayed)
- 2019The Ternary Bi-Mn-Sb Phase Diagram and the Crystal Structure of the Ternary Τ Phase Bi0.8MnSb0.2citations
- 2018BiMn: Synthesis, separation by centrifugation, and characterizationcitations
- 2016Experimental Investigation of the Binary Mn-Sb Phase Diagramcitations
- 2015Sn-Ag-Cu nanosolderscitations
- 2015Phase equilibria and structural investigations of the general NiAs-type in the ternary system Ni-Pt-Sncitations
- 2015AuNi3Si6 and Au2Ni4Si7: Two New Structure Types Related to the CaF2-Type Structurecitations
- 2015Thermodynamic modelling of the general NiAs-type structure: A study of first principle energies of formation for binary Ni-containing B8 compoundscitations
- 2015Experimental investigation of the ternary system Ni-Pd-Sn with special focus on the B8-type phasecitations
- 2014Phase equilibria and structural investigations of the general NiAs-type in the ternary system Ni-Sn-Tecitations
- 2014Enthalpies of formation of Cd-Pr intermetallic compounds and thermodynamic assessment of the Cd-Pr systemcitations
- 2009Synthesis and structural characterization of ternary compounds belonging to the series RE2+mNi4+mAl15+4m (RE = rare earth metal)citations
- 2009Synthesis of Single-Phase Sn3P4 by an isopiestic methodcitations
- 2007Thermodynamics and Nonstoichiometry in the D03 Compound Ni3Sb
- 2004The Al-Ni-Si phase diagram. Part II: Phase equilibria between 33.3 and 66.7 at.% Ni
- 2004Thermodynamic investigations in the lanthanum-cadmium systemcitations
- 2003Ni, Pd, or Pt as contact materials for GaSb and InSb semiconductors: Phase diagrams
- 2003The Al-Ni-Si phase diagram between 0 and 33.3 at.% Ni
- 2003Fractional site occupation of Hf5-xNbxGe4: Crystallographic investigation and thermodynamic modeling
- 2002The Ternary Compounds Pd13ln5.25Sb3.75 and Pdln1.26Sb0.74: Crystal Structure and Electronic Structure Calculationscitations
- 2002The binary system In-Ir: A new investigation of phase relationships, crystal structures, and enthalpies of mixingcitations
- 2002Contact materials for GaSb and InSb: A phase diagram approach
- 2000Phase relationships in the ternary Ga-Ni-Sb systemcitations
- 2000Al-V phase diagram between 0 and 50 atomic percent vanadium
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article
The Ternary Compounds Pd13ln5.25Sb3.75 and Pdln1.26Sb0.74: Crystal Structure and Electronic Structure Calculations
Abstract
The new ternary compound Pd13In5.25Sb3.75 was found. Its crystal structure was determined using a CCD diffractometer at room temperature. Evaluations and refinements finally yielded a C-centered monoclinic structure (space group, C2/c; Pearson symbol, mC88, Z = 4) with a = 15.189(2) A°, b = 8.799(1) A°, c = 13.602(2) A°, and ß3.83(1)°. For the entire data set of 3706 independent reflections residual values are R = 0.0461 and Rw = 0.0789. The structure was found to be isotypic to Pd13Pb9 with In and Sb on the Pb sites. The existence of a further ternary compound, which was already described as Pd3In4Sb2, could be confirmed. Its composition range was determined by EPMA to be PdIn1.2-1.3Sb0.8-0.7. It does not melt congruently and we were not able to find suitable single crystals. However, we were able to prepare the pure ternary compound in order to perform X-ray powder diffraction using a Guinier image plate technique. The entire diffraction spectrum was refined by full profile Rietveld method using the program Fullprof. The a-PdSn2 structure type (space group, I41/acd; Pearson symbol, t148, Z = 16), proposed for this compound, was confirmed and the lattice parameters are a = 6.4350(1) A° and c = 24.3638(3) A°. The residual values were Rp = 5.34 and Rwp = 6.70. The tetragonal PdSn2 structure type is a mixed variant of the CaF2 type and the CuAl2 type structure. Also in this ternary compound we assumed a random contribution of In and Sb over the 16e and 16f positions. The electronic structures of both compounds were investigated by extended Hušckel calculations. Crystal orbital overlap populations show extended bonding interactions between the main group elements. The bonding interactions of the main group elements are almost optimized at the experimentally observed In/Sb ratio of the ternary compound. The In/Sb ratio in Pd13In5.25Sb3.75 can thus be rationalized on the basis of the electronic structure. Œ 2002 Elsevier Science (USA).