Preparation and crystal structure of sodium iron hydrogen phosphate, NaFe(HPO4)(H2PO4)2 • H2O

被引：0

作者：

Anissimova, N ^{[1
]}

Ilyukhin, A ^{[1
]}

Chudinova, N ^{[1
]}

Glaum, R ^{[1
]}

机构：

[1] Russian Acad Sci, Inst Gen & Inorgan Chem, Moscow 117907, Russia

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 1998年 / 624卷 / 09期

关键词：

sodium iron hydrogen phosphate; crystal structure; preparation; MAPLE;

D O I：

10.1002/(SICI)1521-3749(199809)624:9<1509::AID-ZAAC1509>3.0.CO;2-E

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Single crystals of sodium iron hydrogen phosphate, NaFe(HPO4)(H2PO4)(2). H2O, were prepared hydrothermally by heating a mixture of Fe2O3, H3PO4 and Na2CO3 with a small amount of water. It crystallizes orthorhombic (Pbcn (N degrees 60), Z = 8, a = 872.91(7), b = 1249.54(8), c = 1894.4(1) pm). The crystal structure was solved by using 1121 unique reflections I > 2 sigma(I) and refined for a final conventional residual R = 0.039 (188 variables, 25 atoms including hydrogen in the asymmetric unit). The main feature of the crystal structure is a ReO3-like network formed by hydrogenphosphate-, dihydrogenphosphate-groups and FeO6 octahedra with channels along the [201], [010] and [<(2)over bar 01>] directions. Na+ and H2O molecules are occupying these channels. Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Madelung Part of Lattice Energy (MAPLE) are calculated for the title compound.

引用

页码：1509 / 1513

页数：5

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