Powder samples and single crystals of the new ternary compound NbRuB were synthesized by arc-melting of the elements in a water-cooled crucible under an argon atmosphere. The samples have been characterized by X-ray diffraction and energy-dispersive X-ray spectroscopy (EDX) measurements. Furthermore, the crystallographic, electronic, and bonding characteristics have been studied by density functional theory. The title compound crystallizes with a new orthorhombic structure type in the space group Pmma (no. 51) with the lattice parameters a = 10.870(2) Å, b = 3.173(1) Å, and c = 6.350(2) Å. The structure consists of two kinds of [a]

The synergistic combination of experiment and density functional theory has led to the discovery of the first ferromagnetic material, Nb6Fe(1-x)Ir(6+x)B8, containing in its crystal structure iron chains embedded in stacked B6 rings. The strong ferromagnetic Fe-Fe interactions found in the iron chains induce an unexpected strengthening of the B-B interactions in the B6 rings. Beside these strong B-B interactions, strong interlayer metal-boron bonds (Ir-B and Nb-B) ensure the overall structural stability of this phase, while the magnetic Fe-Fe interactions are mainly responsible for the observed ferromagnetic ordering below T(C)=350 K.

No abstract

No abstract

No abstract