X-ray Crystal Structure Analysis of Magnetoelectric Metal UNi4B

Abstract

The crystal structure of the magnetoelectric metal UNi4B was determined from high-resolution synchrotron X-ray diffraction experiments using single-crystalline samples. The direct method and the least-square refinement indicate a structural model with the space group Cmcm (no. 63, \(D_{2h}^{17}\)), where U atoms form a pseudo-triangular lattice in the U–Ni–B layers stacking along the a-axis alternately with the Ni layers. The refined values of the structural parameters including anisotropic atomic displacement parameters are provided for all atoms in the unit cell. The obtained structural model is discussed in terms of the magnetoelectric effect reported for this compound.