Download citation
Download citation
link to html
Preparation of anhydrous aminoguanidinium(2+) hexafluorozirconate, CN4H8ZrF6, shown previously to satisfy the structural criteria for ferroelectricity [Abrahams et al. (1996). Acta Cryst. B52, 806-809], generally results in the co-formation of a series of related fluorozirconates. The structure of the monohydrate salt, one of the co-products, has been redetermined to improve understanding of the preparation pathway, locate the H atoms and compare corresponding atom positions [Gerasimenko et al. (1989). Koord. Khim. 15, 130-135]. The positions of the H atoms were not established in the latter study. All 16 H atoms in the two symmetry-independent CN4H8(2+) ions are now located and refined, with R1 = 0.0299 and S = 1.119. Both independent water molecules are disordered. Normal probability analysis reveals uncompensated error and/or underestimated uncertainty associated with ten non-H-atom position coordinates. The relative concentrations of HF, CN4H7Cl and H2ZrF6 are among the major variables controlling the formation of the related fluorozirconates.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks BR70, global

CCDC reference: 131986

-1
Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds