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Preparation and crystal structure of a new acentric caesium gallium hydrogen phosphate containing phosphoric acid, Cs 2 Ga(H 2 PO 4 )(HPO 4 ) 2 · H 3 PO 4 · 0.5 H 2 O
Author(s) -
Anisimova N.,
Chudinova N.,
Hoppe R.,
Serafin M.
Publication year - 1997
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19976230107
Subject(s) - tetragonal crystal system , gallium , crystal structure , lattice energy , caesium , ionic radius , crystallography , octahedron , acentric factor , chemistry , phosphoric acid , ion , inorganic chemistry , organic chemistry
Single crystals of caesium gallium hydrogen phosphate, Cs 2 Ga(H 2 PO 4 )(HPO 4 ) 2 · H 3 PO 4 · 0.5 H 2 O, were prepared by microwave‐induced heating (1 h) a mixture of CsGa(H 2 PO 4 ) 4 and Cs 2 CO 3 in the excess of H 3 PO 4 . It crystallizes tetragonal, space group 14 1 cd (N° 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 > 4σ (Fo) with a final wR2 value of 0.1549 (SHELXL‐93). The main feature of the crystal structure are columns formed by PO 4 ‐tetrahedra around the GaO 6 octahedra along the [001] direction. Cs + , H 3 PO 4 and H 2 O 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.