Electronic Conditions of Diatomic (BN) Anions in the Structure of CaNiBN

CaNiBN was synthesized from Ca, Ni and BN in sealed tantalum containers at 1000 °C. The structure was determined by single‐crystal X‐ray diffraction (P4/nmm, Z = 2, a = 353.24(3) pm, c = 763.59(9) pm, R₁ = 0.019, wR₂ = 0.045 for all collected independent reflections). CaPdBN was synthesized after the same method, and a powder pattern was indexed isotypically (P4/nmm, a = 377.38(1) pm, c = 760.95(4) pm). The CaNiBN structure contains (BN) units with B—N bond lengths of 138.1(4) pm. If the (BN) unit in CaMBN (M = Ni, Pd) is replaced by (C₂), the structure can be considered as being isotypic with the structure of UCoC₂. Crystals of CaNiBN exhibit metallic lustre. According to the calculated band structure an extremely narrow band gap is present. The covalency between Ni and BN is marked by two important σ type interactions. A third type of interaction between (BN) π* and Ni orbitals represents the slightly occupied conduction bands. CaNiBN exhibits temperature independent paramagnetism and no superconducting transition down to 4 K.     

ChemInform Abstract: RuSi: Metal-Semiconductor Transition by Change of Structure.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Synthesis,Crystal Structure,Atomic Hirshfeld Surfaces,and Physical Properties of Hexagonal CeMnNi4.

Hexagonal CeMnNi₄ is synthesized by high‐frequency induction melting of stoichiometric amounts of the elements with subsequent Czochralski crystal pulling.     

ChemInform Abstract: Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3.

The effects of aluminium substitution in In₂S₃ are investigated by single crystal XRD, ²⁷Al NMR spectroscopy, and DFT calculations.     

ChemInform Abstract: Structure of Hexaamminenickel(II) Hexachloroplatinate Hemihydrate.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: A Method for Studying the Grown-In Defect Density Spectra in Czochralski Silicon Wafers.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: First-Principles Calculation of Electronic,Optical, and Structural Properties of α-Al2O3

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ChemInform Abstract: Ta5+ Displacements in CsTaQ3 (Q: S,Se, and Te): New One-Dimensional Materials with the BaVS3 Structure.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Tl10Hg3Cl16: Single Crystal Growth,Electronic Structure and Piezoelectric Properties.

High‐quality single crystals of Tl₁₀Hg₃Cl₁₆ are grown by the Bridgman—Stockbarger method employing TlCl and HgCl₂ in the molar ratio of 7:3 (evacuated conical bottom quartz container, 1.     

ChemInform Abstract: Complex Intermetallic Compounds: CaNi5Ge3, Ca15Ni68Ge37, and Ca7Ni49Ge22. Three Multifaceted Ni—Ge Framework Structures Combining the Structural Motifs of Ni3Ge and CaNi2Ge2.

The title compounds are prepared by arc‐melting of the elements followed by heating in Ta ampules (950—1150 °C, 1—12 h).     

ChemInform Abstract: Structural Anomaly in GdNiAl: A Crystallographic,Electric and Magnetic Investigation.

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

ChemInform Abstract: Crystal Structure of Azafullerene (C59N)2.

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ChemInform Abstract: Novel Structures and Superconductivities of Calcium—Lithium Alloys at High Pressures: A First‐Principles Study.

The crystal structures of Ca—Li alloys are investigated in the pressure range 0—200 GPa using a structure search method based on particle‐swarm optimization algorithms in combination with DFT calculations.