Quaternary Selenides EuLnCuSe: Synthesis, Structures, Properties and In Silico Studies.

In this work, we report on the synthesis, in-depth crystal structure studies as well as optical and magnetic properties of newly synthesized heterometallic quaternary selenides of the EuLnCuSe composition. Crystal structures of the obtained compounds were refined by the derivative difference minimization (DDM) method from the powder X-ray diffraction data. The structures are found to belong to orthorhombic space groups (structure type BaMnS for EuLaCuSe and structure type EuCuS for EuLnCuSe, where Ln = Sm, Gd, Tb, Dy, Ho and Y) and (structure type KZrCuS for EuLnCuSe, where Ln = Tm, Yb and Lu).