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. 2021 Feb 22;77(Pt 3):144–151. doi: 10.1107/S2053229621001650

Table 9. Absolute atomic displacements (Å), arithmetic mean (d av, Å), degree of lattice distortion (S) and measure of similarity (Δ) in the isotypic NaM(CrO4)(H2O)2 (M = Al and Fe) structures relative to NaSc(CrO4)2(H2O)2 a .

  M = Alb M = Fec
Na1 0.0595 0.0773
M1 0 0
Cr1 0.0839 0.0536
O1 0.1477 0.1608
O2 0.1227 0.1436
O3 0.0595 0.0395
O4 0.0395 0.0520
O5 0.1916 0.0751
     
d av 0.0964 0.0805
Δ 0.023 0.019
S 0.0186 0.0107

Notes: (a) H atoms were omitted from com­parison because in the M = Al and Fe structures, H atoms were not localized. (b) Unit-cell parameters a = 14.080 (10), b = 5.338 (3), c = 10.655 (6) Å and β = 110.33 (5)° (Cudennec & Riou, 1977). (c) Unit-cell parameters a = 14.247 (2), b = 5.425 (5), c = 10.689 (2) Å and β = 109.30 (1)° (Hardy & Gravereau, 1970).