Redetermination of the crystal structure of yttrium chromium tetraboride, YCrB4, from single-crystal X-ray diffraction data

The structural parameters of yttrium chromium tetraboride YCrB4 were refined based on single-crystal X-ray diffraction data. YCrB4 is orthorhombic, having a space group of type Pbam (No. 55) and with lattice parameters of a = 5.9425 (2), b = 11.4831 (4), c = 3.4643 (1) Å. The Y and Cr atoms are located at Wyckoff 4h sites (x, y, 0) and B atoms at the Wyckoff 4g sites (x, y, 1/2). The first structural investigation of YCrB4 was performed using a single crystalline sample [Kuz'ma, (1970). Kristallografiya. 15, 372–374]. The present study successfully refined all the positional and atomic displacement parameters of the Y, Cr, and B atoms.