Crystal structure of cobalt hydroxide carbonate Co${}_2$CO${}_3$(OH)${}_2$: density functional theory and X-ray diffraction investigation

Jorge González-López, Jeremy K. Cockcroft, Ángeles Fernández-González +2

We have investigated the structure of Co${}_2$CO${}_3$(OH)${}_2$ using Density Functional Theory (DFT) simulations as well as Powder X-Ray Diffraction (PXRD) measurements on samples synt…