Crystal structure of RbCdVO4 from X-ray laboratory powder diffraction

Abstract Data mining for materials science and structure prediction is growing rapidly. Such an approach relies a lot on the available published and unpublished crystal structure. In this contribution, we are using the experimental pattern reported in the PDF entry 00-058-0728 for the experimental data used to solve the previously unreported crystal structure of RbCdVO 4 . Contrary to the reported literature, the title compound crystallizes in the monoclinic system P2 1 with Z = 4. The lattice parameters are a = 12.53678(16) Å, b = 5.82451(7) Å, c = 12.47733(17) Å, β = 105.6169(10)°, and V = 877.47(2) Å 3 . Its crystal structure type is new and quite complex as it exhibits 28 atoms in the asymmetric unit.