Neutron diffraction structure determination of NaAlD4

被引：113
作者：
Hauback, BC
Brinks, HW
Jensen, CM
Murphy, K
Maeland, AJ
机构：
[1] Inst Energy Technol, Dept Phys, NO-2027 Kjeller, Norway
[2] Univ Hawaii, Dept Chem, Honolulu, HI 96822 USA
来源：
JOURNAL OF ALLOYS AND COMPOUNDS | 2003年 / 358卷 / 1-2期
关键词：
hydrogen absorbing materials; metal hydrides; crystal structure; neutron diffraction;
D O I：
10.1016/S0925-8388(03)00136-1
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：
The structure of NaAlD4 has been determined from Rietveld-type refinements of powder neutron diffraction data at 8 and 295 K. The space group is I4(1) la with a = 501.19(l) and c = 1131.47(5) pm at 295 K. The Na atoms are surrounded by eight D atoms from eight different [AlD4](-) tetrahedra in the geometry of a distorted square antiprism. The two different Na-D distances are nearly equal: 240.3(2) and 240.5(2) pm at 8 K and 243.1(2) and 243.9(2) pm at 295 K. The Al-D distance is 162.7(2) and 162.6(2) pm at 8 and 295 K, respectively. (C) 2003 Elsevier B.V. All rights reserved.
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页码：142 / 145
页数：4
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