Ions

Positional coordinates

Thermal parameters

U (Ų)

x

y

z

Pb²⁺/Sr²⁺

0.00

0.00

0.00

U₁₁ = U₂₂ = 0.0374 (5), U₃₃ = 0.008 (5)

Mn²⁺/Sb⁵⁺/Zr⁴⁺/Ti⁴⁺

0.50

0.50

0.545 (5)

U₁₁ = U₂₂ = 0.0014 (5), U₃₃ = 0.004 (5)

0.00

0.50

0.592 (5)

U_iso = 0.093 (2)

0.50

0.50

0.071 (5)

U_iso = 0.0065 (1)

a = b = 4.027 (2) Å, c = 4.098 (2) Å, R_P = 16.5, R_wp = 13.1, R_exp = 9.59, R_f = 2.57, R_B = 3.13, Vol = 66.475 (5) and χ² = 1.86.