| People | Locations | Statistics |
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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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Babizhetskyy, Volodymyr
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (25/25 displayed)
- 2024The crystal and electronic structure of RE$_{23}$Co$_{6.7}$In$_{20.3}$ (RE = Gd–Tm, Lu) : a new structure type based on intergrowth of AlB$_{2}$- and CsCl-type related slabscitations
- 2024The crystal and electronic structure of RE23Co6.7In20.3 (RE = Gd–Tm, Lu)citations
- 2024Ternary gallide Zr 7 Pd 7–x Ga 3+x (0 ≤ x ≤ 1.8):Synthesis, crystal and electronic structurescitations
- 2023Crystal and electronic structures of the new ternary gallide Zr12Pd40−xGa31+y (x = 0–1.5, y = 0–0.5)citations
- 2023Boron-induced phase transformation of ternary cerium boron silicides
- 2023Crystal and electronic structures of the new ternary gallide Zr 12 Pd 40−x Ga 31+y (x = 0–1.5, y = 0–0.5)citations
- 2022Crystal and electronic structures of a new hexagonal silicide Sc 38 Co 144 Si 97
- 2022Crystal and electronic structures of a new hexagonal silicide Sc38Co144Si97
- 2021New intermetallics R1+xZr1−xNi (R = Er–Tm, x ~ 0.5) with the TiNiSi type of structurecitations
- 2021Flux synthesis, crystal structure and electronic properties of the layered rare earth metal boride silicide Er<sub>3</sub>Si<sub>5–<i>x</i> </sub>B. An example of a boron/silicon-ordered structure derived from the AlB<sub>2</sub> structure typecitations
- 2021Flux synthesis, crystal structure and electronic properties of the layered rare earth metal boride silicide Er3Si5-xB. An example of a boron/silicon-ordered structure derived from the AlB2 structure typecitations
- 2021Crystal and electronic structure of the new ternary phosphide Ho<sub>5</sub>Pd<sub>19</sub>P<sub>12</sub>citations
- 2021Crystal, electronic and magnetic structures of a novel series of intergrowth carbometalates R4Co2C3 (R = Y, Gd, Tb)citations
- 2020Rare-earth Metal Borosilicides R9Si15-xB3 (R = Tb, Yb): New Ordered Structures Derived from the AlB2 Structure Typecitations
- 2020Rare‐earth Metal Borosilicides <i>R</i><sub>9</sub>Si<sub>15–<i>x</i></sub>B<sub>3</sub> (<i>R</i> = Tb, Yb): New Ordered Structures Derived from the AlB<sub>2</sub> Structure Typecitations
- 2020New cation-disordered quaternary selenides Tl2Ga2TtSe6 (Tt=Ge, Sn)citations
- 2015Investigations in the ternary praseodymium–boron–carbon system: Solid-state phase diagram and structural chemistrycitations
- 2012Structural, electronic and magnetic properties of layered REB2C compounds (RE=Dy, Tm, Lu)citations
- 2011New members of ternary rare-earth metal boride carbides containing finite boron-carbon chains: RE25B14C26 (RE=Pr, Nd) and Nd25B12C28citations
- 2009Crystal chemistry and physical properties of the ternary compounds BC (=Ce, Pr, Nd)citations
- 2008New examples of ternary rare-earth metal boride carbides containing finite boron-carbon chains: The crystal and electronic structure of RE15B6C20 (RE = Pr, Nd)citations
- 2006Tin flux synthesis of rare-earth metal silicide compounds RESi1.7 (RE = Dy, Ho): a novel ordered structure derived from the AlB2 typecitations
- 2006The ternary RE-Si-B systems (RE = Dy, Ho, Er and Y) at 1270 K: Solid state phase equilibria and magnetic properties of the solid solution REB2−xSix (RE = Dy and Ho)citations
- 2006Mn5Si3-type host-interstitial boron rare-earth metal silicide compounds RE5Si3: Crystal structures, physical properties and theoretical considerationscitations
- 2006Structural chemistry, magnetism and electrical properties of binary Gd silicides and Ho3Si4citations
Places of action
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article
Crystal and electronic structures of a new hexagonal silicide Sc38Co144Si97
Abstract
<p>Sc<sub>38</sub>Co<sub>144</sub>Si<sub>97</sub> was prepared from the elements by arc melting under argon and subsequent annealing at 800 °C for 350 h. Single-crystal X-ray diffraction reveals Sc<sub>38</sub>Co<sub>144</sub>Si<sub>97</sub> to crystallize in a new hexagonal structure type: Pearson's symbol hP279, space group P6<sub>3</sub>/m, a = 33.624(7), c = 3.639(1) Å. The crystal structure of Sc<sub>38</sub>Co<sub>144</sub>Si<sub>97</sub> can be considered as a 2D intergrowth of three kinds of fragments of simpler structure types: hexagons and quadrilaterals with the arrangements of the Sc<sub>6</sub>Co<sub>30</sub>Si<sub>19</sub>-type and triangles with the arrangement of the Gd<sub>4</sub>Co<sub>13</sub>(Si, P)<sub>9</sub>-type. Quantum chemical calculations have been performed to analyze the electronic structure and provide deeper insight into the structure-property relationships. The Extended Hückel (EH) calculation indicates that Co in Sc<sub>38</sub>Co<sub>144</sub>Si<sub>97</sub> adopts close to a d<sup>10</sup> configuration owing to the covalent interaction with Si. The Sc–Co and Sc–Si interactions are more ionic, and Co–Co and Co–Si bonds are more covalent interactions.</p>