Crystal structure determination of systematically intergrown compounds:: Li5(OH)2Br3 and Li2(OH)Br

被引：16

作者：

Friese, K ^{[1
]}

Hönnerscheid, A ^{[1
]}

Jansen, M ^{[1
]}

机构：

[1] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2003年 / 218卷 / 08期

关键词：

D O I：

10.1524/zkri.218.8.536.20686

中图分类号：

O7 [晶体学];

学科分类号：

0702 [物理学]; 070205 [凝聚态物理]; 0703 [化学]; 080501 [材料物理与化学];

摘要：

We carried out a structure refinement of a crystal which was composed of two phases. Phase I was up to now unknown and corresponds to Li-5(OH)(2)Br-3 with lattice parameters a = 4.02335(1), c = 21.5638(1) Angstrom, space group Mm2. Phase H is Li-2(OH)Br with lattice parameters a = 4.04594(3) Angstrom and space group Pm3m. The two phases have the a, b-plane in common and consequently part of the reflections overlap systematically. We performed a joint structure refinement of the two phases taking into account all reflections. The structure of Li-5(OH)(2)Br-3 is characterized by anti-perovskite like double layers of composition 2 x Li-2(OH)Br, which alternate with rock-salt like layers of composition LiBr. Results for Li-2(OH)Br are in good agreement with literature and confirm the correctness of the underlying model and the usefulness of the method employed in structure refinement.We carried out a structure refinement of a crystal which was composed of two phases. Phase I was up to now unknown and corresponds to Li-5(OH)(2)Br-3 with lattice parameters a = 4.02335(1), c = 21.5638(1) Angstrom, space group I (4) over bar m2. Phase II is Li-2(OH)Br with lattice parameters a = 4.04594(3) Angstrom and space group Pm (3) over barm. The two phases have the a, b-plane in common and consequently part of the reflections overlap systematically. We performed a joint structure refinement of the two phases taking into account all reflections. The structure of Li-5(OH)(2)Br-3 is characterized by anti-perovskite like double layers of composition 2 x Li-2(OH)Br, which alternate with rock-salt like layers of composition LiBr. Results for Li-2(OH)Br are in good agreement with literature and confirm the correctness of the underlying model and the usefulness of the method employed in structure refinement.

引用

页码：536 / 541

页数：6

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