Cs3H(SeO4)2 at 300K by High-Resolution Neutron Powder Diffraction
Cs3H(SeO4)2 at 300K by High-Resolution Neutron Powder Diffraction
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通过高分辨率中子粉末衍射法在 300K 下测定 Cs3H(SeO4)2
DOI：
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发表时间：
1997
期刊：
影响因子：
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通讯作者：
P. Radaelli
中科院分区：
文献类型：
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作者：
R. Sonntag;R. Melzer;T. Wessels;P. Radaelli
利用高分辨率中子粉末衍射数据，得到了双四氧硒酸氢（2-）三铯的室温单斜结构。特别强调了H原子的精确定位和氢键网络的确定。傅里叶分析清楚地表明，H原子分布在反转中心周围的两个对称等效的半占位位置[H…H = 0.52 (2) A]。氢桥是非线性的[O-H…]O = 173(2)°]与O…O距离为2.506 (7)A。
The monoclinic room-temperature structure of tricaesium hydrogen bis[tetraoxoselenate(2-)] was refined from high-resolution neutron powder diffraction data. Special emphasis was given to the precise location of the H atom and the determination of the hydrogen-bond network. A Fourier analysis clearly shows that the H atom is distributed over two symmetry-equivalent positions of half occupancy [H...H = 0.52 (2) A] around an inversion centre. The hydrogen bridge is non-linear [O-H...O = 173(2)°] with an O...O distance of 2.506 (7) A.