STRUCTURE OF CS-3(HSO4)(2)(H2PO4) - A NEW COMPOUND WITH A SUPERPROTONIC PHASE-TRANSITION

被引:64
作者
HAILE, SM [1 ]
KREUER, KD [1 ]
MAIER, J [1 ]
机构
[1] MAX PLANCK INST FESTKORPERFORSCH,D-70569 STUTTGART,GERMANY
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1995年 / 51卷
关键词
D O I
10.1107/S0108768195005684
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Solid-solution studies in the CsHSO4-CsH2PO4 system carried out in a search for low-temperature proton conducting materials yielded the new compound Cs-3(HSO4)(2)(H2PO4) [tricesium bis(hydrogensulfate) dihydrogenphosphate]. Single-crystal X-ray measurements (performed at room temperature) revealed that Cs-3(HSO4)(2)(H2PO4) crystallizes in space group P2(1)/n and has lattice parameters a = 19.546(3), b = 7.8798(10), c = 9.1854(17)Angstrom and beta = 100.536(14)degrees. With four formula units in the unit cell, and a cell volume of 1390.7(4)Angstrom(3), Cs-3(HSO4)(2)(H2PO4) has a calculated density of 3.295 Mg m(-3). 18 non-H atoms were located in the asymmetric unit. Refinement using anisotropic temperature factors for all 18 non-H atoms
引用
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页码:680 / 687
页数:8
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