Ternary transition metal gallides with TiNiSi, ZrBeSi and MgZn2-type structure

Abstract

Abstract A series of ternary transition metal gallides around the equiatomic composition have been synthesized from the elements by arc-melting and subsequent annealing. The compounds crystallize with site occupancy variants of the hexagonal Laves phase MgZn2, with the hexagonal ZrBeSi or the orthorhombic TiNiSi type. All samples have been characterized on the basis of their lattice parameters, determined by X-ray powder diffraction (Guinier technique). The structures of NbCr1.58Ga0.42 and NbFe1.51Ga0.49 (MgZn2 type, P63/mmc), NbRhGa (ZrBeSi type, P63/mmc), and ScNiGa, ScPtGa and ScAuGa (TiNiSi type, Pnma) were refined from single crystal X-ray diffractometer data. The ScPtGa and ScAuGa crystals showed trilling formation. Mixed site occupancies were only observed in the Laves phases while all other crystals were well ordered. A striking structural motif of NbRhGa is the formation of niobium chains (264 pm Nb–Nb) along the c axis. Several gallides were magnetically characterized. They are Pauli paramagnets. The two crystallographically independent iron sites in the Laves phase TaFeGa could be distinguished in the 57Fe Mössbauer spectrum. The isomer shifts of 0.06(3) (Fe1) and –0.02(3) (Fe2) mm s−1 indicate metallic iron.