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Crystals 2018, 8(2), 89; doi:10.3390/cryst8020089

Crystal Structural Determination of SrAlD5 with Corner-Sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction

1
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
2
Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller, Norway
3
WPI-Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
*
Author to whom correspondence should be addressed.
Received: 17 January 2018 / Revised: 5 February 2018 / Accepted: 7 February 2018 / Published: 9 February 2018
(This article belongs to the Special Issue Properties and Applications of Novel Light Metal Hydrides)
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Abstract

Aluminium-based complex hydrides (alanates) composed of metal cation(s) and complex anion(s), [AlH4] or [AlH6]3− with covalent Al–H bonds, have attracted tremendous attention as hydrogen storage materials since the discovery of the reversible hydrogen desorption and absorption reactions on Ti-enhanced NaAlH4. In cases wherein alkaline-earth metals (M) are used as a metal cation, MAlH5 with corner-sharing AlH6 octahedron chains are known to form. The crystal structure of SrAlH5 has remained unsolved although two different results have been theoretically and experimentally proposed. Focusing on the corner-sharing AlH6 octahedron chains as a unique feature of the alkaline-earth metal, we here report the crystal structure of SrAlD5 investigated by synchrotron radiation powder X-ray and neutron diffraction. SrAlD5 was elucidated to adopt an orthorhombic unit cell with a = 4.6226(10) Å, b = 12.6213(30) Å and c = 5.0321(10) Å in the space group Pbcm (No. 57) and Z = 4. The Al–D distances (1.77–1.81 Å) in the corner-sharing AlD6 octahedra matched with those in the isolated [AlD6]3− although the D–Al–D angles in the penta-alanates are significantly more distorted than the isolated [AlD6]3−. View Full-Text
Keywords: crystal structure; powder X-ray diffraction; powder neutron diffraction crystal structure; powder X-ray diffraction; powder neutron diffraction
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Sato, T.; Takagi, S.; Sørby, M.H.; Deledda, S.; Hauback, B.C.; Orimo, S.-I. Crystal Structural Determination of SrAlD5 with Corner-Sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction. Crystals 2018, 8, 89.

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