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Karen Friese, A. Hönnerscheid, Martin Jansen

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

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 Li₅(OH)₂Br₃ with lattice parameters a = 4.02335(1), c = 21.5638(1) Å, space group I-4m2. Phase II is Li₂(OH)Br with lattice parameters a = 4.04594(3) Å and space group Pm-3m. 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 Li₅(OH)₂Br₃ is characterized by anti-perovskite like double layers of composition 2 × Li₂(OH)Br, which alternate with rock-salt like layers of composition LiBr. Results for Li₂(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.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 218, 08/2003
Pages: 536

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