  Zn1-xRxO (R = Li, Mg, Cr, Mn, Fe and Cd) were obtained by using
co-precipitation synthesis technique with constant weight percent of 3% from R
ions. The phase composition, crystal structure, morphology, Density Functional
Theory (DFT), and, magnetic properties were examined to comprehend the
influence of Zn2+ partial substitution with R ions. X-ray diffraction shows
that the ZnO lattice parameters were slightly affected by R doping and the
doped sample crystallinity is enhanced. Our results show that introducing Cr,
Mn and Fe along with Mg into ZnO induces a clear magnetic moment without any
apparent distortion in the structural morphology. The spatial configuration of
dopant atoms is determined from first-principles calculations, giving a better
understanding of the position of the dopant atom responsible for the magnetism.
The magnetic moments obtained from our calculations are 3.67, 5.0, and 4.33
{\mu}B per dopant atom for Cr, Mn, and Fe, respectively, which agree with the
experimental values. While Cr and Fe tend to form clusters, Mn has more
propensity to remain evenly distributed within the system, avoiding
cluster-derived magnetism.
