. 2025 Oct 13;15(45):38158–38175. doi: 10.1039/d5ra06101f

Table 2. Calculation of tolerance factor (t) and octahedral factor (μ) for pure and Sb-doped BFO.

Sample	Ionic radius, r (Å) (ref. 61)						t	Ref.	μ	Ref.
Sample	r _A	r _B				r _O	t	Ref.	μ	Ref.
BaFeO₃	Ba²⁺ 1.61	Fe³⁺ (HS) 0.645		Fe⁴⁺ (HS) 0.585		O²⁻ 1.40	1.056	This work	0.439	This work
BaFeO₃	Ba²⁺ 1.61	Fe_w.avg^2+/3+ (HS) (1 × 0.615)				O²⁻ 1.40	1.066	Expt.^60,61	(0.41 < μ)	Th.^60,64
BaFe_0.875Sb_0.125O₃	Ba²⁺ 1.61	Fe³⁺ (HS) 0.645	Fe⁴⁺ (HS) 0.585	Sb³⁺ 0.76	Sb⁵⁺ 0.60	O²⁻ 1.40	1.014	This work	0.445	This work
BaFe_0.875Sb_0.125O₃	Ba²⁺ 1.61	Fe_w.avg^3+/4+ (HS) (0.87 × 0.615) = 0.538		Sb_w.avg^3+/5+ (0.125 × 0.68) = 0.085		O²⁻ 1.40	1.014	This work	0.445	This work
BaFe_0.75Sb_0.25O₃	Ba²⁺ 1.61	Fe³⁺ (HS) 0.645	Fe⁴⁺ (HS) 0.585	Sb³⁺ 0.76	Sb⁵⁺ 0.60	O²⁻ 1.40	1.048	This work	0.451	This work
BaFe_0.75Sb_0.25O₃	Ba²⁺ 1.61	Fe_w.avg^3+/4+ (HS) (0.75 × 0.615) = 0.461		Sb_w.avg^3+/5+ (0.25 × 0.68) = 0.17		O²⁻ 1.40	1.048	This work	0.451	This work