Equiatomic CeTX intermetallics with the hexagonal ZrNiAl type structure are formed with electron-rich transition metals (T) and X = Mg, Zn, Cd, Al, Ga, In, Tl, Sn, and Pb. Their crystal chemistry, chemical bonding, magnetic and electrical properties, and formation of solid solutions are reviewed. The results of 119Sn Mossbauer spectroscopy, high-pressure studies, and hydrogenation reactions are presented.

Cerium intermetallics with ZrNiAl-type structure – a review

First principle study of structural, electronic and thermodynamic behavior of ternary intermetallic compound: CeMgTl

The electronic properties of transition-metal oxides with highly correlated electrons are of central importance in
modern condensed-matter physics and chemistry, both for their fundamental scientific interest and for their potential for advanced electronic applications. However, the design of materials with tailored properties has been restricted by the limited understanding of their structure−property relationships, which are particularly complex in the proximity of the regime where localized electrons become gradually mobile. RENiO3 perovskites, characterized by the presence of spontaneous metal to insulator transitions, are some of the most widely used model materials for the investigation of this region in theoretical studies. However, crucial experimental information needed to validate theoretical predictions is still lacking due to their challenging high-pressure synthesis, which has prevented to date the growth of sizable bulk single crystals with RE ≠ La, Pr, and Nd. Here we report the first successful growth of single crystals with RE = Nd, Sm, Gd, Dy, Y, Ho, Er, and Lu in sizes up to ∼75 μm, grown from molten salts in a temperature gradient under 2000 bar of oxygen gas pressure. The crystals display regular prismatic shapes with flat facets, and their crystal structures and metal−insulator and antiferromagnetic order transition temperatures are in excellent agreement with previously reported values obtained from polycrystalline samples. The availability of such crystals opens access to measurements that have hitherto been impossible to conduct. This should contribute to a better understanding of the fascinating properties of materials with highly correlated electrons and guide future efforts to engineer transition-metal oxides with tailored functional properties.

RENiO3 Single Crystals (RE = Nd, Sm, Gd, Dy, Y, Ho, Er, Lu) Grown from Molten Salts under 2000 bar of Oxygen Gas Pressure

Semiconductors with electrically tunable band gaps are of great interest in controlling transparency to electromagnetic radiation. Thin films of perovskite nickelate NdNiO3 (NNO), a class of correl...

Electrochromic Properties of Perovskite NdNiO3 Thin Films for Smart Windows

The equiatomic CeXX′ phases (X and X′ = elements of the 3ʳᵈ, 4ᵗʰ, or 5ᵗʰ main group) extend the large series of CeTX intermetallics (T = electron-rich transition metal). These phases crystallize with simple structure types, i.e. ZrNiAl, TiNiSi, CeScSi, α-ThSi₂, AlB₂, and GdSi₂. In contrast to the CeTX intermetallics one observes pronounced solid solutions for the CeXX′ phases. The main influence on the magnetic ground states results from the absence of d electrons. All known CeXX′ phases show exclusively trivalent cerium and antiferro- or ferromagnetic ordering at low temperatures. The crystal chemical details and some structure-property relationships are reviewed.

Equiatomic cerium intermetallics CeXX′ with two p elements

The equiatomic rare earth-magnesium-indium compounds REMgIn (RE = Y, La-Nd, Sm, Gd-Tm, Lu) were prepared from the elements in sealed tantalum tubes inside a water-cooled sample chamber of an induction furnace. All compounds were characterized through their X-ray powder patterns. They crystallize with the hexagonal ZrNiAl type structure, space group P62m, with three formula units per cell. The structure of SmMgIn was refined from X-ray single crystal diffractometer data: a = 761.3(2), c = 470.3(1) pm, wR2 = 0.0429, 380 F 2 values and 14 variable parameters. The DyMgIn, HoMgIn, and TmMgIn structures have been analyzed using the Rietveld technique. The REMgIn structures contain two cystallographically independent indium sites, both with tri-capped trigonal prismatic coordination: In1Sm 6 Mg 3 and In2Mg 6 Sm 3 . Together the magnesium and indium atoms form a three-dimensional [MgIn] network with Mg-Mg distances of 320 and Mg-In distances in the range 294 - 299 pm. Temperature dependent magnetic susceptibility data show Curie-Weiss behavior for DyMgIn, HoMgIn, and TmMgIn with experimental magnetic moments of 11.0(1) μ B /Dy atom, 10.9(1) μ B /Ho atom, and 7.5(1) μ B /Tm atom. The three compounds order antiferromagnetically at T N = 22(2) K (DyMgIn), 12(1) K (HoMgIn), and 3(1) K (TmMgIn).

Ternary Indides REMgIn (RE = Y, La–Nd, Sm, Gd–Tm, Lu). Synthesis, Structure and Magnetic Properties

Ternary lithium stannides LixT3Sn7−x (T=Rh, Ir)

Ternary Indides LnMgIn (Ln: Y, La—Nd, Sm, Gd—Tm, Lu). Synthesis, Structure and Magnetic Properties.

Crystal Structure of NdNiO3 at 123 and 292 K.

Well-shaped, small single crystals of the NdNiO 3 perovskite were grown under high oxygen pressure conditions in a belt-type press at 4 GPa. The reaction took place in sealed platinum capsules in the presence of KClO 3 as oxidizing agent. It seems that the choice of hydroxides of the involved cations as precursor reagents is crucial for the success of the crystal growth, via water vapor transport reactions. NdNiO 3 was investigated by X-ray powder and single crystal diffraction at 123 and 292 K: GdFeO 3 type, Pbnm, a = 538.10(7), b = 537.91(7), c = 760.26(10) pm, wR2 = 0.0434, 338 F 2 values, and 29 variables at 292 K. The low-temperature data gave no hint for a monoclinic distortion: Pbnm, a = 537.91(8), b = 538.49(8), c = 760.02(12) pm, wR2 = 0.0299, 338 F 2 values, and 29 variables. At room temperature, the Ni-O distances vary from 193.9 to 194.2 pm, and the O-Ni-O angles cover the range from 89.5 to 90.5°. Similar small distortions are observed for the NiO 6 octahedra at 123 K. Due to the strong orthorhombic distortion, the neodymium atoms have only nine oxygen neighbors at Nd-O distances from 236.0 to 295.7 pm.

/pdf/crystal-structure-of-ndnio3-at-123-and-292-k-x83d67euuh.pdf

Crystal Structure of NdNiO3 at 123 and 292 K

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