Redetermination of di­ammonium trivanadate, (NH4)2V3O8

ABSTRACT: The crystal structure of (NH4)2V3O8 has been redetermined using data collected at 0.61 Å resolution, showing that the ammonium cation is disordered by rotation around a non-crystallographic axis. The crystal structure of (NH4)2V3O8 has been reported twice using single-crystal X-ray data [Theobald et al. (1984 ▸). J. Phys. Chem. Solids, 45, 581–587; Range et al. (1988 ▸). Z. Naturforsch. Teil B, 43, 309–317]. In both cases, the orientation of the ammonium cation in the asymmetric unit was poorly defined: in Theobald’s study, the shape and dimensions were constrained for NH4+, while in Range’s study, H atoms were not included. In the present study, we collected a highly redundant data set for this ternary oxide, at 0.61 Å resolution, using Ag Kα radiation. These accurate data reveal that the

SUBMITTER: Perez-Benitez A 

PROVIDER: S-EPMC9462213 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature