Zur Kristallstruktur von SrLaNiO<sub>4</sub> / On the Crystal Structure of SrLaNiO<sub>4</sub>

Pausch, H.; Müller‐Buschbaum, Hk.

doi:10.1515/znb-1979-0303

Cited by 14 publications

(2 citation statements)

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“…The parameters for the Buckingham potential were collected from the available literature and are listed in Table . The corresponding parameters for the Ni 3+ –O 2– pair were obtained by fitting the crystallographic data for LaSrNiO 4 , in GULP software; , the deviations in the fitted lattice parameters were below 1%. The potential cutoff during the simulations was set to 15 Å.…”

Section: Methodsmentioning

confidence: 99%

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Bamburov,

Naumovich,

Khalyavin

et al. 2023

Chem. Mater.

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Tuning the cation nonstoichiometry is an effective approach to modify the stability and functional properties and to assist the surface redox engineering of perovskite oxides. This work addresses the possibility of the introduction of cation vacancies into the Ln sublattice of perovskite-related Ruddlesden–Popper Ln2NiO4+δ nickelates. La2–x NiO4±δ (x = 0–0.10) and Nd1.95NiO4±δ were selected as model compositions. Ceramic materials were sintered in air at 1350–1450 °C for 10–40 h and characterized by the combination of experimental (X-ray diffraction, neutron diffraction, scanning electron microscopy, energy-dispersive spectroscopy, thermogravimetric analysis, and measurement of electrical transport properties) and computational (static lattice and molecular dynamics simulations) methods. All nominally A-site-deficient materials comprised nickel oxide as a secondary phase. The fraction of NiO impurities in the La2–x NiO4±δ series increased with x, while the parameters of the orthorhombic crystal lattice remained composition-independent. Refinement of neutron diffraction patterns of La2NiO4+δ and La1.95NiO4±δ yielded the cation ratio La/Ni = 2:1 in the Ruddlesden–Popper phase for both materials. The results indicate that the concentration of cation vacancies that can be tolerated in the A sublattice of the Ruddlesden–Popper La2NiO4+δ structure is ≪1 at. %, if any. The experimental findings are supported by computer simulations, showing that the formation of lanthanum-deficient La1.95NiO4 is energetically less favorable compared to cation-stoichiometric La2NiO4+δ coexisting with NiO or La4Ni3O10 secondary phases and that introduction of lanthanum vacancy results in enhanced diffusivity of A-site cations at elevated temperatures and destabilization of the Ruddlesden–Popper structure. Within experimental error, the nominal cation deficiency had no effect on the electrical conductivity and oxygen permeability of La2–x NiO4±δ ceramics.

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Section: Methodsmentioning

confidence: 99%

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Bamburov,

Naumovich,

Khalyavin

et al. 2023

Chem. Mater.

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“…Oxometallate mit K,NiF,-Struktur sind in grofierer Zahl bekannt. Auch hierzu gibt es an Einkristallen untersuchte Beispiele wie: LaSrNiO, [7], NdSrCrO,, NdSrMnO, [S], LnSrAlO, [9,101 und LnCaAlO,[9,111. Verfeinerung der Temperatur-R = 0,043 faktoren tetragonal D:i--I4/mmm a = 3,8903(6); c = 20,552 (5)…”

Section: Einloitungunclassified

Ein Beitrag über Sr₂RuO₄ und Sr₃Ru₂O₇ Zur Oktaederstreckung von M⁴⁺ in K₂NiF₄‐ und Sr₃Ti₂O₇‐Typ‐Verbindungen

Müller‐Buschbaum

Wilkens

1990

Zeitschrift anorg allge chemie

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Erzeugung hoher Temperaturen im chemischen Laboratorium mit Anwendungsbeispielen aus der Lanthanoid‐Oxochemie

Müller‐Buschbaum

1981

Angewandte Chemie

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Professor Wilhelm Klemm rum 85. Geburtstag gewidmerReaktionen bei hohen Temperaturen waren fiur den Chemiker schon immer ein reizvolles, aber auch schwieriges Experimentierfeld. Bei Festkorperreaktionen nehmen die apparativen Schwierigkeiten exponentiell mit steigender Temperatur zu. Speziell auf diesem Gebiet der anorganischen Chemie hat die Anwendung rnoderner Verfahren zur Erzeugung hoher Temperaturen -vom Sonnenofen bis zum CO2-Hoch1eistungs-Laser -neue Methoden erschlossen, die vor allern irn Bereich metastabiler Hochtemperaturverbindungen interessante Ergebnisse erwarten lassen.

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Zur Kristallstruktur von SrLaNiO₄ / On the Crystal Structure of SrLaNiO₄

Cited by 14 publications

References 0 publications

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Ein Beitrag über Sr₂RuO₄ und Sr₃Ru₂O₇ Zur Oktaederstreckung von M⁴⁺ in K₂NiF₄‐ und Sr₃Ti₂O₇‐Typ‐Verbindungen

Erzeugung hoher Temperaturen im chemischen Laboratorium mit Anwendungsbeispielen aus der Lanthanoid‐Oxochemie

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Zur Kristallstruktur von SrLaNiO4 / On the Crystal Structure of SrLaNiO4

Cited by 14 publications

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Intolerance of the Ruddlesden–Popper La2NiO4+δ Structure to A-Site Cation Deficiency

Intolerance of the Ruddlesden–Popper La2NiO4+δ Structure to A-Site Cation Deficiency

Ein Beitrag über Sr2RuO4 und Sr3Ru2O7 Zur Oktaederstreckung von M4+ in K2NiF4‐ und Sr3Ti2O7‐Typ‐Verbindungen

Erzeugung hoher Temperaturen im chemischen Laboratorium mit Anwendungsbeispielen aus der Lanthanoid‐Oxochemie

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Zur Kristallstruktur von SrLaNiO₄ / On the Crystal Structure of SrLaNiO₄

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Intolerance of the Ruddlesden–Popper La₂NiO_4+δ Structure to A-Site Cation Deficiency

Ein Beitrag über Sr₂RuO₄ und Sr₃Ru₂O₇ Zur Oktaederstreckung von M⁴⁺ in K₂NiF₄‐ und Sr₃Ti₂O₇‐Typ‐Verbindungen