Symbiosis of Intermetallic and Salt

Meyer, Gerd

doi:10.1016/b978-0-444-63256-2.00264-3

Cited by 2 publications

(1 citation statement)

References 142 publications

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“…84−87 On the other hand, the aforementioned lack of valence electrons can also be compensated by cluster condensation, resulting in larger proportions of M−M and M−Interstitial bonds. 19,87 While clusters continue to condense, the molecular picture does not necessarily apply anymore, and electron counting rules, which nicely work for isolated clusters, also fail. Since our analyses focus on molecular units or fragments in extended solids, the choice of representatives containing frequently observed types of isolated octahedral clusters and main group as well as transition-metal interstitials is self-explanatory.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

Müller,

Schmit,

Sann

et al. 2024

Inorg. Chem.

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Section: ■ Results and Discussionmentioning

confidence: 99%

Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

Müller,

Schmit,

Sann

et al. 2024

Inorg. Chem.

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Binary Intermetallics in the 70 atom % R Region of Two R–Pd Systems (R = Tb and Er): Hidden, Obscured, or Nonexistent?

et al. 2020

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Although rare-earth-metal–transition-metal (R/T) phase diagrams have been explored extensively, our recent studies have uncovered new previously nonexistent binary intermetallics. These compounds belong to a narrow region between 70 and 71.4 atom % of the rare-earth metal but represent four different structure types. The binaries Tb 7 Pd 3 and Er 17 Pd 7 are compositionally approaching (less than 1 atom % difference) the previously reported R 2.16 Pd 0.89 (R = Tb and Er), and apparently form by peritectoid transformation, thus, being hard to detect by fast cooling. Tb 7 Pd 3 ( 1 ) crystallizes in the Th 7 Fe 3 structure type ( hP 20, P 6 3 mc , a = 9.8846(4) Å, c = 6.2316(3) Å, Z = 2) while Er 17 Pd 7 ( 2 ) belongs to the Pr 17 Co 7 type being its second reported representative ( cP 96, P 2 1 3, a = 13.365(2) Å, Z = 4). Er 17 Pd 7 ( 2 ) is overlapping with the cubic F -centered Er 2.11 Pd 0.89 ( 3b , Fd 3̅ m , a = 13.361(1) Å, Z = 32) with practically identical unit cell parameters but a significantly different structure. Electronic structure calculations confirm that heteroatomic R–T bonding strongly dominates in all structures; T–T bonding interactions are individually strong but do not play a significant role in the total bonding.

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Symbiosis of Intermetallic and Salt

Cited by 2 publications

References 142 publications

Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

Fragment Orbitals Extracted from First-Principles Plane-Wave Calculations

Binary Intermetallics in the 70 atom % R Region of Two R–Pd Systems (R = Tb and Er): Hidden, Obscured, or Nonexistent?

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