Abstract
AbstractThe ternary polyboride ScNiB4 was synthesized from the elements by arc‐melting and subsequent annealing for crystal growth. The structure of ScNiB4 was investigated by X‐ray diffraction on powder and a single crystal (high‐resolution data up to 2θ = 140°, Mo‐Kα radiation): YCrB4 type, Pbam, a = 578.7(2), b = 1120.7(3), c = 327.2(1) pm, R1 = 0.0477 (1286 F2 values with I ≥ 2(I)), wR2 = 0.1137 (all 2225 F2 values), and 38 variables. The four crystallographically independent boron sites build up planar layers which consist of almost regular pentagons and heptagons which sandwich the nickel and scandium atoms, respectively. Within the two‐dimensional [B4] networks each boron atom has slightly distorted trigonal planar boron coordination with B–B distances in the range 171–181 pm. A topological analysis of the electron density reveals the differences between the bonding situation of the scandium atoms in the heptagonal prismatic environment on the one hand and the Ni atoms in the pentagonal prismatic environment on the other hand.
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