Abstract
The quaternary arsenide LaHf2Ni5−xAs4 was prepared by reaction of the elements in a tube furnace, followed by heating in an induction furnace. LaHf2Ni5−xAs4 (x = 0.25(1)) crystallizes in a new monoclinic structure in space group P21/m (with cell parameters of a = 9.6766(16) Å, b = 3.9280(7) Å, c = 9.8605(17) Å, β = 93.339°) and can be regarded as a filled variant of the monoclinic LaZr2Ni4−xAs4-type structure. The structure of LaHf2Ni5−xAs4 contains As-centred trigonal prisms arranged in propeller-shaped units, which are linked together by single trigonal prisms. The Hf atoms occupy square pyramidal sites (CN5), while the Ni atoms occupy tetrahedral sites (CN4). Band structure calculations and bonding analysis suggest that this compound is a metallic conductor, the origin of the conductivity being largely attributed to Hf–Hf and Hf–Ni interactions.
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