The crystal structure of LiMgAlD6 from combined neutron and synchrotron X-ray powder diffraction

被引：13

作者：

Grove, Hilde ^{[1
]}

Brinks, Hendrik W.

Lovvik, Ole M. ^{[2
]}

Heyn, Richard H. ^{[3
]}

Hauback, Bjorn C.

机构：

[1] Inst Energy Technol, Dept Phys, NO-2007 Kjeller, Norway

[2] Univ Oslo, Dept Phys, NO-0316 Oslo, Norway

[3] SINTEF Mat & Chem, NO-0314 Oslo, Norway

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2008年 / 460卷 / 1-2期

关键词：

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

D O I：

10.1016/j.jallcom.2007.06.029

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：

LiMgAlH6 is the intermediate phase when LiMg(AlH4)(3) is heated. It contains 9.4 wt.% hydrogen, of which 4.8 wt.% is released during the decomposition step to MgH2 and LiH. Deuterated LiMgAlD6 was prepared by heat-treating LiMg(AlD4)(3) at 130 degrees C. Powder neutron and synchrotron X-ray diffraction patterns were measured and the structure was refined using the Rietveld technique on both patterns simultaneously. LiMgAlD6 crystallizes in the trigonal space group P321 with a = 7.9856(4) angstrom and c = 4.3789(3) angstrom. The structure consists of isolated AlD6 octahedra connected through octahedrally coordinated Mg- and Li-atoms. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：64 / 68

页数：5

共 24 条

[1] BASTIDE JP, 1987, REV CHIM MINER, V24, P190
[2] Ti-doped alkali metal aluminium hydrides as potential novel reversible hydrogen storage materials
Bogdanovic, B
Schwickardi, M
[J]. JOURNAL OF ALLOYS AND COMPOUNDS, 1997, 253 (1-2) : 1 - 9
[3] The structure of Li3AlD6
Brinks, HW
Hauback, BC
[J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2003, 354 (1-2) : 143 - 147
[4] Synthesis and crystal structure of Na2LiAlD6
Brinks, HW
Hauback, BC
Jensen, CM
Zidan, R
[J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 392 (1-2) : 27 - 30
[5] Thermochemistry and crystal structures of lithium, sodium and potassium alanates as determined by ab initio simulations
Chung, SC
Morioka, H
[J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2004, 372 (1-2) : 92 - 96
[6] REACTIONS OF LITHIUM AND SODIUM ALUMINUM-HYDRIDE WITH SODIUM OR LITHIUM HYDRIDE - PREPARATION OF A NEW ALUMINO-HYDRIDE OF LITHIUM AND SODIUM LINA2ALH6
CLAUDY, P
BONNETOT, B
BASTIDE, JP
LETOFFE, JM
[J]. MATERIALS RESEARCH BULLETIN, 1982, 17 (12) : 1499 - 1504
[7] FOX, 'free objects for crystallography':: a modular approach to ab initio structure determination from powder diffraction
Favre-Nicolin, V
Cerny, R
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2002, 35 : 734 - 743
[8] The structure of magnesium alanate
Fichtner, M
Engel, J
Fuhr, O
Glöss, A
Rubner, O
Ahlrichs, R
[J]. INORGANIC CHEMISTRY, 2003, 42 (22) : 7060 - 7066
[9] Determination of the crystal structure of Mg(AlH4)2by combined X-ray and neutron diffraction
Fossdal, A
Brinks, HW
Fichtner, M
Hauback, BC
[J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 387 (1-2) : 47 - 51
[10] Structures and thermodynamics of the mixed alkali alanates
Graetz, J
Lee, Y
Reilly, JJ
Park, S
Vogt, T
[J]. PHYSICAL REVIEW B, 2005, 71 (18)

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