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Ba3AlO4H: Synthesis and Structure of a New Hydrogen-Stabilized Phase

โœ Scribed by Baoquan Huang; John D. Corbett

Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
465 KB
Volume
141
Category
Article
ISSN
0022-4596

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โœฆ Synopsis

The title compound and its deuteride were synthesized in high yield by sintering appropriate mixtures of BaH 2 (BaD 2 ), BaO and Al 2 O 3 in welded Ta containers at 1100 ยฐC under a hydrogen (deuterium) pressure of 600-700 torr. The structure was determined by a combination of single crystal X-ray and time-of-flight powder neutron diffraction means (orthorhombic Pnma, Z โ€ซุโ€ฌ 4, a โ€ซุโ€ฌ 10.4911( 9), b โ€ซุโ€ฌ 8.1518(7), c โ€ซุโ€ฌ 7.2399 (6) A s for the deuteride). The compound contains nominal Ba 2ุ‰ cations, AlO 5ุŠ 4 complex anions and H ุŠ (D ุŠ ) anions. The hydride is bound in a strongly distorted barium octahedron while the tetrahedral AlO 5ุŠ 4 anion is surrounded by eleven barium atoms in a peculiar polyhedral configuration. The HBa 6 octahedra are linked together by corner-sharing to form a three dimension framework with large voids defined by eight of the HBa 6 octahedra that are occupied by the tetrahedral AlO 5ุŠ 4 anions. The structure is closely related in a hierarchical way to that of orthorhombic inverse perovskitic Ba 3 GeO.

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