Journal article

Publication year: 1997

Pages: 39-44

Journal: Journal of Inorganic and General Chemistry

Volume number: 623

Issue number: 1

ISSN: 0044-2313

DOI Link: https://doi.org/10.1002/zaac.19976230107

Publisher: Wiley

Abstract: 

Single crystals of caesium gallium hydrogen phosphate, CS2Ga(H2PO4)(HPO4)(2) . H3PO4 . 0.5H(2)O, were prepared by microwave-induced heating (1 h) a mixture of CsGa(H2PO4)(4) and CS2CO3 in the excess of H3PO4. It crystallizes tetragonal, space group I4(1)cd (N degrees 110 Int. Tab.) with Z = 16 and a = 2016.8(5), c = 1828.7(5) pm.

The crystal structure was solved by using 3341 unique reflections Fo > 4 sigma (Fo) with a final wR2 value of 0.1549 (SHELXL-93).

The main feature of the crystal structure are columns formed by PO4-tetrahedra around the GaO6 octahedra along the [001] direction. Cs+, H3PO4 and H2O molecules connect the columns into framework. Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR), Charge Distribution (CHARDI) and the Madelung Part of Lattice Energy (MAPLE) are calculated for the title compound.

Harvard Citation style: Anisimova, N., Chudinova, N., Hoppe, R. and Serafin, M. (1997) Preparation and crystal structure of a new acentric caesium gallium hydrogen phosphate containing phosphoric acid, Cs2Ga(H2PO4)(HPO4)(2)center dot H3PO4 center dot 0.5H(2)O, Zeitschrift für anorganische und allgemeine Chemie = Journal of Inorganic and General Chemistry, 623(1), pp. 39-44. https://doi.org/10.1002/zaac.19976230107

APA Citation style: Anisimova, N., Chudinova, N., Hoppe, R., & Serafin, M. (1997). Preparation and crystal structure of a new acentric caesium gallium hydrogen phosphate containing phosphoric acid, Cs2Ga(H2PO4)(HPO4)(2)center dot H3PO4 center dot 0.5H(2)O. Zeitschrift für anorganische und allgemeine Chemie = Journal of Inorganic and General Chemistry. 623(1), 39-44. https://doi.org/10.1002/zaac.19976230107