Preparation and crystal structure of a new acentric caesium gallium hydrogen phosphate containing phosphoric acid, Cs2Ga(H2PO4)(HPO4)2· H3PO4· 0.5 H2O
作者:
N. Anisimova,
N. Chudinova,
R. Hoppe,
M. Serafin,
期刊:
ZAAC ‐ Journal of Inorganic and General Chemistry
(WILEY Available online 1997)
卷期:
Volume 623,
issue 1‐6
页码: 39-44
ISSN:0044-2313
年代: 1997
DOI:10.1002/zaac.19976230107
出版商: WILEY‐VCH Verlag
关键词: Caesium gallium hydrogen phosphate;phosphoric acid;acentric crystal structure;preparation;CHARDI
数据来源: WILEY
摘要:
AbstractSingle crystals of caesium gallium hydrogen phosphate, Cs2Ga(H2PO4)(HPO4)2· H3PO4· 0.5 H2O, were prepared by microwave‐induced heating (1 h) a mixture of CsGa(H2PO4)4and Cs2CO3in the excess of H3PO4. It crystallizes tetragonal, space group 141cd (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 PO4‐tetrahedra around the GaO6octahedra along the [001] direction. Cs+, H3PO4and 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
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