Temperature dependence of the order and distribution of Mn3+ and Mn4+ cations in orthorhombic LiMn2O4

Pure and zirconium-doped manganese(II,III) oxide: Investigations on structural and conduction-related properties within the Lattice Compatibility Theory scope

“…Moreover, and as stated by Piszora [52], temperature-induced distribution alterations of alternated Mn cations over the cationic sites of orthorhombic unit cell within spinel oxide compounds were found to be the cause of lattice parameters changes. In the actual case, the systematic distortion which results from Mn ions dissymmetry seems to be balanced by the presence of Zirconium ions.…”

Inequality of quenched and high temperature structure of lithium deficient LiMn2O4

“…The c parameter of the tetragonal phase increases faster than a and b parameters. On the other hand, in the orthorhombic phase the most sensitive on the temperature changes is the b parameter [30]. The lowering of symmetry, both in the orthorhombic phase and in the tetragonal phase, is caused by the cooperative Jahn-Teller effect, but with the different orientation and distribution of Mn 3+ ions.…”

Local Lattice Distortion Caused by Short Range Charge Ordering in LiMn2O4

“…With decreasing temperature, the compound exhibits a structural phase transition at around 260 K. [13][14][15][16][17][18] The low temperature phase has an orthorhombic structure with space group of Fddd and ''3a  3a  a'' super cell relative to the cubic phase, where a is lattice parameter of the cubic phase. 13,18) Five kinds of inequivalent Mn sites are included in the unit cell. From the bond valence sum calculation, valences of three Mn and two Mn sites are estimated to be about +3 and +4, and then the orthorhombic phase is in the charge ordered state.…”