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The crystal structure of (Na 1/3 , (H 2 O) 2/3 ) 12  · [NaFe 3  3+ O(SO 4 ) 6 (H 2 O) 3 ] was solved using 1143 single crystal X-ray reflections (sin  θ / λ  ≤ 0.70 Å −1 ,  λ  = 0.7107 Å) and was refined to  R  (unweighed) = 0.064. Salient crystal data are:  a  = 15.015(4),  b  = 11.154(3),  c  = 18.385(4) Å, space group  Cmcm ,  V  = 3079(1)  Å  3 ,  Z  = 4,  D m   = 2.30 (by flotation),  D x   = 2.31 g cm −3 ,  μ (MoK  α   = 30.30 cm −1 . The structure contains the three-nuclear iron complex [Fe 3  3+  O(SO 4 ) 6 (H 2 O) 3 ] 5−  already found in other similar compounds. Such structural units are linked together by Na atoms to form [NaFe 3  3+  O(SO 4 ) 6 (H 2 O) 3 ] 4−  bond chains running along the  c  axis. The experienced disorder concerning some cations and water molecules of a related group of trigonal iron(III) sulphates, affects also the title compound. Moreover, like its hexagonal potassium analogue, this salt is unstable under the atmospheric conditions even if the chemical behaviour is different both in respect to the time of reaction and to the product obtained.

zeitschrift für kristallographie - crystalline materials

Analysis of the (Na 1/3, , (H 2 O) 2/3 ) 12 [NaFe 3  3+ O(SO 4 ) 6 (H 2 O) 3 ] compound: crystal structure, solid-state transformation and its relationship to some analogues