A second Br-site or a third water position in the crystal structure of K2[Pt(CN)4]Br0.3·3H2O(KCP)?

A discussion of the paper “A neutron diffraction study of structural changes in one-dimensional K₂Pt(CN)₄]Br_0.3·3H₂O from 77–323°K” which appeared in Solid State Commun.17, 45–48 (1975) and of related papers.Single crystal X-ray and neutron diffraction investigations show without any doubt that the crystal structure of KCP contains a third not fully occupied water position, whereby the correspondent water molecule fills alternatively with Br the center of the unit cell. Furthermore the D-atoms of this water position show occupational disorder. We found four possible arrangements for the D₂O molecule. A second Br-site as reported by Williams et al. does not exist.