The crystal and magnetic structure of the Ca ₃ Co ₂ O ₆ manganese-doped compound

The crystal and magnetic structures of quasi-one-dimensional spin-chain compounds Ca 3 Co[Formula: see text]Mn x O 6 in the range of manganese doping from 0.0 to 1.0 were studied using X-ray diffraction (XRD) at room temperature and neutron powder diffraction in a temperature range of 7–300[Formula: see text]K. All samples have a rhombohedral crystal structure with space group [Formula: see text] at temperatures between 5[Formula: see text]K and 100[Formula: see text]K, and retain their structure over the entire concentration and temperature ranges. A change in the corresponding Co–O interatomic bond lengths indicates that manganese ions predominantly occupy the trigonal prismatic sites in the rhombohedral crystal lattice, leading to a shift in the balance of magnetic interactions and the suppression of the spin-density wave magnetic state at [Formula: see text] manganese concentrations. Additionally, the Neél temperature [Formula: see text] decreases from 25 (Ca 3 Co[Formula: see text]Mn[Formula: see text]O 6 ) to 20[Formula: see text]K as Mn concentration increased to [Formula: see text].