Data for Charge density wave in intermetallic oxides R5Pb3O (R = La and Ce)

This dataset contains tabular data, CIF, hkl, ins files, and raw instrumental data associated with the figures in the paper "Charge density wave in intermetallic oxides R5Pb3O (R = La and Ce)". In the manuscript, we report single crystal growth and basic characterization for the La and Ce members of this family. At room temperature, these compounds adopt a tetragonal structure (I4/mcm), where R and Pb atoms form linear chains along the c-axis. We identify a second-order structural phase transition at 260 K and 145 K for R = La and Ce, respectively. Single crystal X-ray diffraction reveals a lattice modulation below the transition temperature, resulting in R-Pb pairs in the z direction. The broken symmetry in the low-temperature phases results in a primitive structure with space group P4/ncc. Transport and diffraction measurements, in agreement with density functional theory calculations, support that the R5Pb3O (R = La and Ce) series hosts an electron-phonon coupling driven charge density wave (CDW) at low temperatures.