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

Makoto Tokuda; Kunio Yubuta; Toetsu Shishido; Kazumasa Sugiyama

doi:10.1107/S2056989023008952

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

Acta Crystallogr E Crystallogr Commun. 2023 Oct 26;79(Pt 11):1072-1075. doi: 10.1107/S2056989023008952. eCollection 2023 Nov 1.

Authors

Makoto Tokuda¹, Kunio Yubuta², Toetsu Shishido³, Kazumasa Sugiyama³

Affiliations

¹ Institute of Industrial Nano Materials, Kumamoto University, 2-39-1 Kurokami, Chuo-ku, Kumamoto 860-8555, Japan.
² Department of Applied Quantum Physics and Nuclear Engineering, Kyushu University, Fukuoka 819-0395, Japan.
³ Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan.

Abstract

The structural parameters of yttrium chromium tetra-boride YCrB₄ were refined based on single-crystal X-ray diffraction data. YCrB₄ 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 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.

Keywords: boride; crystal structure; single-crystal diffraction.

Grants and funding

We gratefully acknowledge the support from JSPS KAKENHI (grant Nos. JP19K05643, JP20H00189 and JP23K04373) and the GIMRT program (Nos. 202111-RDKGE-0002 and 202211-RDKGE-0008) at the Institute for Materials Research, Tohoku University, Japan.