期刊
JOURNAL OF ALLOYS AND COMPOUNDS
卷 392, 期 1-2, 页码 27-30出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2004.09.006
关键词
powder X-ray diffraction; powder neutron diffraction; synchrotron radiation; metal hydrides; crystal structure; alanates
Na2LiAlD6 was synthesized by ball milling of NaAlD4 and LiAlD4 with subsequent heat treatment under D-2 pressure. The compound has an ordered perovskite-type structure with Li and Al in octahedral positions. The [LiD6](3-) and [AID(6)](3-) complex anions are ordered in three dimensions such that the neighbouring octahedron is of different type in all three directions. Each octahedron shares each corner with one other octahedron. Na2LiAlD6 crystallizes in the cubic space group Fm (3) over barm with unit-cell dimension a = 7.38484(5) A. The structure may also be described as a c.c.p. geometry of (isolated) AlD6 entities with Li filling the octahedral sites and Na filling all the tetrahedral sites. Sodium is connected to three D atoms from each of the four surrounding AlD6 octahedra, resulting in a total coordination number of 12. (c) 2004 Elsevier B.V. All rights reserved.
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