2019/01/10 by Florian Pielnhofer, Leslie M. Schoop, Alexander Kuhn +5 · 1 citation
Chemistry · Materials Science · #Organometallic Compounds Synthesis and Characterization #Inorganic Chemistry and Materials #Crystal Structures and Properties
paper · doi:10.1002/zaac.201800460
The crystal structure of boron tetrathiophosphate BPS 4 was reinvestigated using single‐crystal X‐ray diffraction. The structure shows unidimensional chains similar to SiS 2 as structural motifs. BPS 4 crystallizes in the orthorhombic space group Ibam (no. 72), with a = 5.6173(3), b = 8.9929(4), c = 5.2433(3) Å and V = 264.87(2) Å 3 and is closely related to the orthorhombic high‐temperature modification of AlPS 4 (ht‐AlPS 4 ). The SiS 2 ‐like chains are all oriented parallel to the c axis, which explains the needle‐like morphology and that the crystals easily cleave to thinner needles under mechanical stress. While ht‐AlPS 4 shows an ordered Al‐P sublattice, the B‐P sublattice in BPS 4 is substantially disordered. The thermal properties of BPS 4 were investigated by DTA measurements and a detailed analysis of the Raman spectrum assisted by quantum mechanical calculations is presented. The crystallographic disorder in BPS 4 is the result of inter‐chain disorder, whereas local intra‐chain ordering of B and P can be concluded from Raman spectroscopy.