Investigation in the ternary Ta-Ni-P system: Solid state phase equilibria at T=1070 K, crystal and electronic structures of new ternary phosphides

Babizhetskyy, Volodymyr; Lomnytska, Ya. F.; Dzevenko, M.; Zheng, Chong; Smetana, Volodymyr; Mudring, Anja‐Verena

doi:10.1016/j.jallcom.2020.158122

Cited by 3 publications

(2 citation statements)

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“…[185] As Raymond Daudel wrote in his classic textbook Structure éctronique des molecules, [186] referring to simple LCAO and VB methods but applicable to eHT as well, "The naïve methods are less naïve than they seem to be." [19,186] Extended Hückel theory continues to be used, [187][188][189][190][191] but certainly less so than it its heyday. In 2020 and 2021, there are at least 12 [192][193][194][195][196][197][198][199][200][201][202][203] and six publications using eHT calculations, [187][188][189][190][191]204] respectively.…”

Section: Skepticism Of the Extended Hückel Theorymentioning

confidence: 99%

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Why Hoffmann? His Chemistry**

Seeman

2022

The Chemical Record

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Why was it that Roald Hoffmann was the perfect collaborator for R. B. Woodward for proposing the Principle of Conservation of Orbital Symmetry as the solution to the no-mechanism puzzle? This publication presents 17 "tools" that Hoffmann used extensively and effectively prior to the Woodward-Hoffmann collaboration that would he call upon reveal the mechanism of pericyclic reactions. In a sense, this is a biography of Hoffmann with a focus on his personal and professional skills as of May 5, 1964.

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Section: Skepticism Of the Extended Hückel Theorymentioning

confidence: 99%

“…[19,186] Extended Hückel theory continues to be used, [187][188][189][190][191] but certainly less so than it its heyday. In 2020 and 2021, there are at least 12 [192][193][194][195][196][197][198][199][200][201][202][203] and six publications using eHT calculations, [187][188][189][190][191]204] respectively.…”

Section: Skepticism Of the Extended Hückel Theorymentioning

confidence: 99%

Why Hoffmann? His Chemistry**

Seeman

2022

The Chemical Record

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Ta4CoSi : A tantalum-rich superconductor with a honeycomb network structure

Zeng

Guo

et al. 2022

Phys. Rev. B

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Coloring variants of the Re₃B type

Seidel

Pöttgen

2021

Zeitschrift Für Naturforschung B

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The Re3B type, space group Cmcm, has boron-centered trigonal prisms as central building units and is one of the basic structure types with numerous binary and ternary representatives. The coloring of different atoms on the two crystallographically independent rhenium sites leads to a manifold of compounds with different bonding peculiarities that are rather isopointal than isotypic with the prototype. Typical compounds are the S-phase precipitate MgCuAl2, the silicide ScPt2Si or the iodide Th0.5Pb0.5I3 (PuBr3 type). Differences in size or composition might force symmetry reductions. This is discussed for YZn3 (space group Pnma) and the different coloring variants ScRhSi2 and TaNi2P which show different twists of the trigonal prisms. Striking singular representatives with lower symmetry structures are BaThBr6 (Pmma) and NbCo2B (P21/c) which allow different ordering/distortion patterns for the prisms. All these crystal chemical details are discussed on the basis of group subgroup schemes (Bärnighausen trees).

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Investigation in the ternary Ta-Ni-P system: Solid state phase equilibria at T=1070 K, crystal and electronic structures of new ternary phosphides

Cited by 3 publications

References 32 publications

Why Hoffmann? His Chemistry**

Why Hoffmann? His Chemistry**

Ta4CoSi : A tantalum-rich superconductor with a honeycomb network structure

Coloring variants of the Re₃B type

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Investigation in the ternary Ta-Ni-P system: Solid state phase equilibria at T=1070 K, crystal and electronic structures of new ternary phosphides

Cited by 3 publications

References 32 publications

Why Hoffmann? His Chemistry**

Why Hoffmann? His Chemistry**

Ta4CoSi : A tantalum-rich superconductor with a honeycomb network structure

Coloring variants of the Re3B type

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Product

Resources

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Coloring variants of the Re₃B type