Redetermination of the crystal structure of yttrium chromium tetra-boride, YCrB 4 , from single-crystal X-ray diffraction data.

The structural parameters of yttrium chromium tetra-boride YCrB 4 were refined based on single-crystal X-ray diffraction data. YCrB 4 is ortho-rhom-bic, 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 4 h sites ( x , y , 0) and B atoms at the Wyckoff 4 g sites ( x , y , 1/2). The first structural investigation of YCrB 4 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.