ChemInform Abstract: Site Specific X-Ray Anomalous Dispersion of the Geometrically Frustrated Kagome Magnet,Herbertsmithite, ZnCu3(OH)6Cl2.

A single crystal of (Zn_0.85Cu_0.15)Cu₃ (OH)₆Cl₂ is obtained from a mixture of CuO, ZnCl₂, and H₂O (185 °C, 2 d) followed by recrystallization of the microcrystalline product.     

ChemInform Abstract: YCa3(CrO)3(BO3)4: A Cr3+ Kagome Lattice Compound Showing No Magnetic Order Down to 2 K.

Polycrystalline gaudefroyite‐type YCa₃(CrO)₃(BO₃)₄ with Cr³⁺ ions (3d³, S = 3/2) forming an undistorted Kagome lattice is prepared by reaction of a stoichiometric mixture of Y₂O₃, CaCO₃, Cr₂O₃, H₃BO₃ in a KCl flux (Al₂O₃ crucible, 1000 °C, 1 d) followed by re‐grinding and further annealing (1000 °C, 2 d, 95% yield).     

ChemInform Abstract: Electronic Structure,Elastic Anisotropy,Thermal Conductivity and Optical Properties of Calcium Apatite Ca5(PO4)3X (X: F,Cl or Br).

The structural properties, phase stability, electronic structure, elastic properties, and optical properties of Ca₅(PO₃)₄F (FA), Ca₅(PO₃)₄Cl (ClA) and Ca₅(PO₃)₄Br (BrA) are studied by DFT calculations with the generalized gradient approximation.     

Nickel(II) Complex of N4 Schiff Base Ligand as a Building Block for a Conducting Metallopolymer with Multiple Redox States

Metal–ligand interactions in monomeric and polymeric transition metal complexes of Schiff base ligands largely define their functional properties and perspective applications. In this study, redox behavior of a nickel(II) N₄-anilinosalen complex, [NiAmben] (where H₂Amben = N,N′-bis(o-aminobenzylidene)ethylenediamine) was studied by cyclic voltammetry in solvents of different Lewis basicity. A poly-[NiAmben] film electrochemically synthesized from a 1,2-dichloroethane-based electrolyte was investigated by a combination of cyclic voltammetry, electrochemical quartz crystal microbalance, in situ UV-Vis spectroelectrochemistry, and in situ conductance measurements between −0.9 and 1.3 V vs. Ag/Ag⁺. The polymer displayed multistep redox processes involving reversible transfer of the total of ca. 1.6 electrons per repeat unit, electrical conductivity over a wide potential range, and multiple color changes in correlation with electrochemical processes. Performance advantages of poly-[NiAmben] over its nickel(II) N₂O₂ Schiff base analogue were identified and related to the increased number of accessible redox states in the polymer due to the higher extent of electronic communication between metal ions and ligand segments in the nickel(II) N₄-anilinosalen system. The obtained results suggest that electrosynthesized poly-[NiAmben] films may be viable candidates for energy storage and saving applications.     

ChemInform Abstract: Structural Properties and Singular Phase Transitions of Metallic Pr0.50Sr0.50CoO3 Cobaltite.

Two successive magnetic transitions of Pr_0.50Sr_0.50CoO₃ contrast with the single ferromagnetic transition in other Ln_0.50Sr_0.50CoO₃ compounds.     

ChemInform Abstract: Syntheses and Properties of a Family of New Compounds RE3Sb3Co2O14 (RE: La,Pr, Nd,Sm—Ho) with an Ordered Pyrochlore Structure.

As an example of the isostructural Ln₃Sb₃Co₂O₁₄ (Ln: La, Pr, Nd, Sm—Ho) series with an ordered pyrochlore structure, the La variant is prepared by a citrate complex method employing stoichiometric amounts of La(NO₃)₃, Co(NO₃)₂, and Sb tartrate together with citric acid with a metal/citrate molar ratio of 1:2 (1.     

ChemInform Abstract: Influence of Hydrogen Absorption on Structural and Magnetic Properties of Ce2Ni2In.

Ce₂Ni₂InH_x hydrides with x < 2 retain the Mo₂FeB₂‐type structure of Ce₂Ni₂In and crystallize in the tetragonal space group P4/mbm (powder XRD).     

ChemInform Abstract: The Synthesis and Characterization of LaCa2Fe2GaO8.

The title compound is prepared from stoichiometric mixtures of La₂O₃, SrCO₃, Ga₂O₃, and Fe₂O₃ (flowing Ar, 1300 °C, 80 h) and characterized by neutron powder diffraction and magnetic measurements.     

ChemInform Abstract: B2N2O4: Prediction of a Magnetic Ground State for a Light Main‐Group Molecule.

DFT and coupled‐cluster calculations show that the B₂N₂O₄ molecule has a triplet ground state and therefore is paramagnetic.     

ChemInform Abstract: Scaffolding,Ladders, Chains,and Rare Ferrimagnetism in Intermetallic Borides: Electronic Structure Calculations and Magnetic Ordering.

The electronic structures of “Ti_9‐nFe_2+nRu₁₈B₈” (n = 0, 0.5, 1, 2, 3), including the recently synthesized compounds Ti_9‐nFe_2+nRu₁₈B₈ (n = 1, 2), are determined by TB‐LMTO‐ASA computations.     

ChemInform Abstract: Crystal Structure and Properties of the Manganese Containing Swedenborgite YBaMn3AlO7.

Small crystals of the title compound are grown from BaAl₂O₄, Y₂BaO₄, and MnO in a floating‐zone mirror‐image furnace.     

Role of Annealing Atmosphere on Structure,Dielectric and Magnetic Properties of La2CoMnO6 and La2MgMnO6

Polycrystalline samples of La₂MMnO₆ (M = Co and Mg) were prepared by a combined gel‐combustion and high temperature reaction method. The samples were annealed in different oxygen partial pressure (p_O2) and characterized by powder XRD, SQUID magnetometry, ac impedance spectroscopy, and electron paramagnetic resonance techniques. Monoclinic (P2₁/n) and rhombohedral (R$\bar{3}$ ) lattices were observed for La₂CoMnO₆ and La₂MgMnO₆, respectively. On annealing in inert atmosphere, La₂MgMnO₆ partially converted to monoclinic La₂CoMnO₆ type structure, whereas no structural change was observed in La₂CoMnO₆. Dielectric studies of La₂CoMnO₆ indicated relaxor like behavior with polaronic conduction, which systematically decreased with the increase in p_O2 of the annealing atmosphere. Magnetic studies indicated multiple ferromagnetic phase transitions in La₂CoMnO₆ and a spin‐glass like phase transition in La₂MgMnO₆. The fraction of ferromagnetic phases of La₂CoMnO₆ was significantly dependent on the annealing environments. The variations of magnetic and dielectric properties of samples were related to the fluctuation of oxidation state of transition metal ions and oxygen vacancies in the samples.     

ChemInform Abstract: Anionic Ordering in Ba15V12S34O3, Affording Three Oxidation States of Vanadium and a Quasi‐One‐Dimensional Magnetic Lattice.

Polycrystalline Ba₁₅V₁₂S₃₄O₃ is prepared by solid state reaction of a 12:3:12:22 molar mixture of BaS, BaO, V, and S under 200 mbar Ar (corundum crucible in sealed quartz tube, 1.     

ChemInform Abstract: Structural Chemistry and Magnetic Properties of Nd18Li8Fe4M′O39 (M′: Al,Ga) and La18Li8Fe4,5In0.5O39.

The title compounds are prepared by solid state reactions of Nd₂O₃ or La₂O₃, Fe₂O₃, M₂O₃ (M: Al, Ga, In), and excess Li₂CO₃ (alumina crucibles, 800 °C, 16 h).     

ChemInform Abstract: A New n = 4 Layered Ruddlesden—Popper Phase K2.5Bi2.5Ti4O13 Showing Stoichiometric Hydration.

Polycrystalline K_2.5Bi_2.5Ti₄O₁₃ (I) is prepared by solid state reaction of KNO₃, Bi₂O₃, and TiO₂ (Al₂O₃ crucible, 750 °C, 16 h).     

ChemInform Abstract: The New Misfit Compound (BiSe)1.15(TiSe2)2 and the Role of Dimensionality in the Cux(BiSe)1+δ(TiSe2)n Series.

Single crystals of (BiSe)_1.15(TiSe₂)₂ and (BiSe)_1.13(TiSe₂) are prepared from Bi, Ti, and Se in the molar ratio1:1:3 by vapor transport with TeCl₄ as transport agent (750—680 °C, 7 d).     

ChemInform Abstract: Perovskites for Solar Thermoelectric Applications: A First Principle Study of CH3NH3AI3 (A: Pb and Sn).

MeNH₃MI₃ (M: Pb, Sn) perovskites are recognized as promising photovoltaic materials.     

ChemInform Abstract: Study on the Crystal Structure of the Rare Earth Oxyborate Yb26B12O57 from Powder X‐Ray and Neutron Diffraction.

The title compound, previously assigned as Yb₃BO₆ is characterized by powder X‐ray and neutron diffraction, ¹¹B NMR spectroscopy, electron diffraction, high angle angular dark field‐STEM, and magnetic measurements.     

ChemInform Abstract: First‐Principles Prediction on the High‐Pressure Structures of Transition Metal Diborides (TMB2, TM: Sc,Ti, Y,Zr).

Two novel high‐pressure structures are predicted for the title compounds: a monoclinic structure (space group C2/m, Z = 4) for ScB₂ and YB₂ stable above 208 and 163 GPa, resp., and a tetragonal α‐ThSi₂ type structure (I4₁/amd, Z = 4) for TiB₂ which is stable above 215 GPa.     

ChemInform Abstract: First-Principles Study of Defective and Nonstoichiometric Sr2FeMoO6.

The influence of disorder and stoichiometry-breaking point defects on the structural and magnetic properties of Sr₂FeMoO₆ is studied by electronic structure calculations within the spin-polarized GGA+U approach.