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Sr(BrO 3 ) 2  · H 2 O,  M r   = 361.478, monoclinic,  I 2/ c  (conventional  C 2/ c ),  a  = 887.0(1),  b  = 761.1(1),  c  = 936.9(1) pm,  β  = 91.82(1)°,  V  = 0.6321 nm 3 ,  Z  = 4,  D x   = 3.80 g cm −3 ,  λ  ( neutron ) = 87.013 pm,  μ  = 0.0055 mm −1 ,  F (000) = 215.0 fm,  T  = 297 K,  R  = 0.063,  wR  = 0.046,  S  2  = 1.48 (0.04), 1592 unique intensities, 58 parameters, refinement on | F | 2  including weak and negative intensities. The intensities are checked for normal and independent distribution and for proper choice of their variances. A simple formula is applied to take weakening by extinction into account. The results are in agreement with X-ray data confirming the distinct anisotropy of the thermal ellipsoid of the water oxygen. The OH bond length is 93.9(1) pm, the HOH angle 112.9(1)°, the hydrogen bond length (H … O) 187.5(1) pm.

Neutron diffraction study of Sr(BrO 3 ) 2 · H 2 O: Statistical tests of intensity variances, refinement including weak and negative intensities