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 [J].

Bogdanovic, B ;

Schwickardi, M .

JOURNAL OF ALLOYS AND COMPOUNDS, 1997, 253 (1-2) :1-9

[3] The structure of Li3AlD6 [J].

Brinks, HW ;

Hauback, BC .

JOURNAL OF ALLOYS AND COMPOUNDS, 2003, 354 (1-2) :143-147

[4] Synthesis and crystal structure of Na2LiAlD6 [J].

Brinks, HW ;

Hauback, BC ;

Jensen, CM ;

Zidan, R .

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 [J].

Chung, SC ;

Morioka, H .

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 [J].

CLAUDY, P ;

BONNETOT, B ;

BASTIDE, JP ;

LETOFFE, JM .

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 [J].

Favre-Nicolin, V ;

Cerny, R .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2002, 35 :734-743

[8] The structure of magnesium alanate [J].

Fichtner, M ;

Engel, J ;

Fuhr, O ;

Glöss, A ;

Rubner, O ;

Ahlrichs, R .

INORGANIC CHEMISTRY, 2003, 42 (22) :7060-7066

[9] Determination of the crystal structure of Mg(AlH4)2by combined X-ray and neutron diffraction [J].

Fossdal, A ;

Brinks, HW ;

Fichtner, M ;

Hauback, BC .

JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 387 (1-2) :47-51

[10] Structures and thermodynamics of the mixed alkali alanates [J].

Graetz, J ;

Lee, Y ;

Reilly, JJ ;

Park, S ;

Vogt, T .

PHYSICAL REVIEW B, 2005, 71 (18)

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