Figure 13.

Coincidence between experimental and theoretical properties

(A) Calculated t-e orbital overlapping degree $\left(I_{t_{2\text{g}\downarrow }-e_{\text{g}\uparrow }}\right)$.

(B) Experimental $\left(T_{\text{N}}^{\text{Cr}}\right)$ (right) and calculated $\left(T_{\text{N}}^{\text{MFA}}\right)$ (left) AFM transition temperatures.

(C) Theoretically optimized values of ∠Cr-O1(O2)-Cr bond angles of RECrO₃ (RE = Eu, Gd, Tb, Dy, Y, Ho, Er, Tm, Yb, and Lu) compounds. Inset of (C) shows the geometry of bond angles. The horizontal axis represents ionic radii of RE³⁺ ions.