Synthesis and crystal structure of Na2LiAlD6

被引：51

作者：

Brinks, HW

Hauback, BC

Jensen, CM

Zidan, R

机构：

[1] Inst Energy Technol, Dept Phys, NO-2027 Kjeller, Norway

[2] Univ Hawaii, Dept Chem, Honolulu, HI 96822 USA

[3] Savannah River Natl Lab, Aiken, SC 29808 USA

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2005年 / 392卷 / 1-2期

关键词：

powder X-ray diffraction; powder neutron diffraction; synchrotron radiation; metal hydrides; crystal structure; alanates;

D O I：

10.1016/j.jallcom.2004.09.006

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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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页码：27 / 30

页数：4

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