An exceptionally-high diffraction quality dodecaboride LUB12: Growth and single-crystal structure

Single crystals of LuB12 of exceptionally high diffraction quality confirmed by an accurate X-ray structure analysis are grown by the modified crucibleless inductive floating zone melting. A thoroughly treated single crystal is used to collect a high-resolution data set up to sin theta/lambda = 1.36 angstrom(-1) at 293 K, which has been reduced to 271 symmetry-independent reflections. Residual factors of the structure refinement in the Fm (3) over bar m symmetry group are R1(vertical bar F vertical bar)/wR2(vertical bar F vertical bar) = 0.20/0.14% in a 13-parametric structure model. Revealed asymmetry of electron density distribution near average position of the Lu atom described using anharmonic displacement parameters. (C) 2016 Elsevier B.V. All rights reserved.