The scandium-iridium phase diagram

Yeremenko, V. N.; Khorujaya, V.G.; Martsenyuk, P. S.

doi:10.1016/0925-8388(94)90075-2

Cited by 19 publications

(5 citation statements)

References 4 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A closer look at these powder diffractograms reveals that the superstructure reflections exist for the compositions with x = 0, 1, 2, 3, 4 and 5 but not for x = 6. After indexation of the main reflections of the already known x = 0 phase, the resulting lattice parameter, a = 3.9827(5) Å, lies between those of ScIr 3 (Cu 3 Au type, a = 3.90 Å), and ScIr 3 B 1– y (SrTiO 3 type, a = 3.999 Å), as expected. However, taking into account the superstructure reflections, the lattice parameters are doubled, indicating that this phase should crystallize with the double-perovskite-like Ti 2 Rh 6 B-type structure instead.…”

Section: Resultssupporting

confidence: 76%

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

et al. 2015

View full text Add to dashboard Cite

Analysis of the electronic density of states of the hypothetical ternary double-perovskite-like phases "Sc2T6B (T = Ir, Pd, Ni)" reveals the presence of deep and large pseudogaps between 61 and 68 valence electrons (VE) as well as a strong peak at 69 VEs. Subsequently, crystal orbital Hamilton population (COHP) bonding analysis shows that the heteroatomic T-B and Sc-T interactions are optimized in Sc2Ir6B (63 VE) but not in "Sc2Pd6B (69 VE)" and "Sc2Ni6B (69 VE)", thus indicating less stability for these VE-richer phases. These findings point out the possibility of discovering new double-perovskite-like borides through chemical substitution and lead to the study of the Sc2Ir6-xPdxB and Sc2Ir6-xNixB (x = 0-6; VE = 63-69) series, for which powder samples and single crystals were synthesized by arc melting the elements. Superstructure reflections were observed in the powder diffractograms of Sc2Ir6-xPdxB and Sc2Ir6-xNixB for x = 0-5 and VE = 63-68, thereby showing that these phases crystallize in the double-perovskite-like Ti2Rh6B-type structure (space group Fm3̅m, Z = 4). Single-crystal and Rietveld refinement results confirm and extend these findings because Pd (or Ni) is found to mix exclusively with Ir in all quaternary compositions. For x = 6, no superstructure reflections were observed, in accordance with the theoretical expectation for the 69 VE phases.

show abstract

Section: Resultssupporting

confidence: 76%

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

et al. 2015

View full text Add to dashboard Cite

show abstract

“…There are a few examples of this structure type with metals of the third group: Sc 2 Ir [42] and Sc 2 Ru [43]. Regarding the M component, Z phases are mainly observed with 3d transition metals -Fe, Ni, Co, Mn-and with platinum metals -Rh, Pd, Ru, Pt [6,12,13,37,43].…”

Section: The Ti 2 Ni Structure Type and Its Representativesmentioning

confidence: 96%

Mg8Rh4B — A new type of boron stabilized Ti2Ni structure

Alekseeva

Abakumov

Leithe‐Jasper³

et al. 2006

Journal of Solid State Chemistry

View full text Add to dashboard Cite

“…The four Mn positions in Th 6 Mn 23 can in turn be occupied in an orderly fashion by two different species, and the cavity can be occupied by one of the already present elements (homostuffed case) or by a different one (heterostuffed). The following groups can be identified as in the scheme reported in Figure 1: (1) Th 6 Mn 23 -type binary compounds, (2) nonstuffed ternary compounds, with nonoccupied 4a cavities (Mg 6 Cu 16 Si 7 □ prototype, where Si occupies positions 24d and 4b), 6,7 (3) homostuffed binary compounds, with 4a cavities occupied by one of the two elements (Sc 22 Ir 8 ), 8,9 (4) heterostuffed ternary compounds, Th 6 Mn 23 derivatives with a third element in the 4a cavity (Zr 6 Zn 23 Si), 10 (5) homostuffed ternary compounds, like case 2 and with the 4a cavity filled by the elements either in 32f or 24d (Ti 6 M 7 Al 16 Al and Ti 6 Ni 16 Si 7 Si), 11 and (6) heterostuffed quaternary compounds, like case 2 and with a fourth element in 4a (U 6 Fe 16 Si 7 C). 12 Magnesium-based binary compounds crystallizing with the Th 6 Mn 23 type are known to exist only in combination with an alkaline earth metal (Sr or Ba) or with Th.…”

Section: Introductionmentioning

confidence: 99%

Crystal Chemistry of the New Families of Interstitial Compounds R₆Mg₂₃C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce₆Mg₂₃Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb)

et al. 2015

View full text Add to dashboard Cite

The crystal chemical features of the new series of compounds R6Mg23C with R = La-Sm or Gd and Ce6Mg23Z with Z = C, Si, Ge, Sn, Pb, P, As, or Sb have been studied by means of single-crystal and powder X-ray diffraction techniques. All phases crystallize with the cubic Zr6Zn23Si prototype (cF120, space group Fm3̅m, Z = 4), a filled variant of the Th6Mn23 structure. While no Th6Mn23-type binary rare earth-magnesium compound is known to exist, the addition of a third element Z (only 3 atom %), located into the octahedral cavity of the Th6Mn23 cell (Wyckoff site 4a), stabilizes this structural arrangement and makes possible the formation of the ternary R6Mg23Z compounds. The results of both structural and topological analyses as well as of LMTO electronic structure calculations show that the interstitial element plays a crucial role in the stability of these phases, forming a strongly bonded [R6Z] octahedral moiety spaced by zeolite cage-like [Mg45] clusters. Considering these two building units, the crystal structure of these apparently complex intermetallics can be simplified to the NaCl-type topology. Moreover, a structural relationship between RMg3 and R6Mg23C compounds has been unveiled; the latter can be described as substitutional derivatives of the former. The geometrical distortions and the consequent symmetry reduction that accompany this transformation are explicitly described by means of the Bärnighausen formalism within group theory.

show abstract

The scandium-iridium phase diagram

Cited by 19 publications

References 4 publications

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

Mg8Rh4B — A new type of boron stabilized Ti2Ni structure

Crystal Chemistry of the New Families of Interstitial Compounds R₆Mg₂₃C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce₆Mg₂₃Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb)

Contact Info

Product

Resources

About

The scandium-iridium phase diagram

Cited by 19 publications

References 4 publications

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc2Ir6–xTxB (T = Pd, Ni; x = 0–6) Series

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc2Ir6–xTxB (T = Pd, Ni; x = 0–6) Series

Mg8Rh4B — A new type of boron stabilized Ti2Ni structure

Crystal Chemistry of the New Families of Interstitial Compounds R6Mg23C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce6Mg23Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb)

Contact Info

Product

Resources

About

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

Electronic Pseudogap-Driven Formation of New Double-Perovskite-like Borides within the Sc₂Ir_6–xT_xB (T = Pd, Ni; x = 0–6) Series

Crystal Chemistry of the New Families of Interstitial Compounds R₆Mg₂₃C (R = La, Ce, Pr, Nd, Sm, or Gd) and Ce₆Mg₂₃Z (Z = C, Si, Ge, Sn, Pb, P, As, or Sb)