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X-ray single crystal, X-ray powder and specific heat investigations were carried out on alumosilicate NaNO 3 -sodalite between 290 K and 1100 K. Single crystal structure determinations at 295 K, 505 K and 720 K reveal the sodalite structure in its partially collapsed form in space group  P 4̅3 n  whereas at 935 K the z coordinate of the framework oxygen is shifted to  z  = 0.5 according to an untilted sodalite framework in  Pm 3̅ n . The sodium ions are located on 8 e  ( x, x, x ) position in  P 4̅3 n  and become statistically distributed on 16 i  ( x, x, x ) in  Pm 3̅ n . The displacements of the nitrate atoms are extraordinarily enlarged at 935 K compared to the values at the lower temperatures. Analysis of the X-ray powder data show a discontinuity in the thermal expansion behaviour at  T  c  = 930 K with the temperature dependence of the lattice parameter described by

zeitschrift für kristallographie - crystalline materials

Anomalous thermal expansion behaviour of Na 8 [AlSiO 4 ] 6 (NO 3 ) 2 -sodalite:  P 4̅3 n  to  Pm 3̅ n  phase transition by untilting and contraction of TO 4  units