The structure of LiMg(AlD4)3

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

“…The average Al-D distances in corner-sharing AlD 6 octahedra in MAlD 5 are consistent with those found in hexa-alanates [3], Sr 2 AlD 7 [14] and Ba 2 AlD 7 [26]. However the D-Al-D angles in the penta-alanates (Table 3) Figure 3 shows the metal cation dependences on the average metal cation-Al and Al-D distances [3,[8][9][10][12][13][14][25][26][27][28][29][30][31][32][33][34][35][36][37] in related alanates (deuterides) with covalent Al-D bonds. The average Al-D distances in corner-sharing AlD6 octahedra in MAlD5 are consistent with those found in hexa-alanates [3], Sr2AlD7 [14] and Ba2AlD7 [26].…”

“…Although only EuAlH 5 has been experimentally identified, divalent rare-earth metals with close ionic radius to Ca 2+ , Sr 2+ and Ba 2+ would be speculated to form penta-alanates such as EuAlH 5 . Figure 3 shows the metal cation dependences on the average metal cation-Al and Al-D distances [3,[8][9][10][12][13][14][25][26][27][28][29][30][31][32][33][34][35][36][37] in related alanates (deuterides) with covalent Al-D bonds. The average Al-D distances in corner-sharing AlD 6 octahedra in MAlD 5 are consistent with those found in hexa-alanates [3], Sr 2 AlD 7 [14] and Ba 2 AlD 7 [26].…”

“…In CaAlSiD, SrAlSiD, BaAlSiD and SrAl2D2, Ca, Sr and Ba were formally considered as their metal cation. 6 , K 2 NaAlH 6 , LaAlH 6 , CeAlH 6 , PrAlH 6 and NdAlH 6 (LiCa(AlH 4 ) 3 and LiCaAlH 6 are theoretical calculation results) [3,[8][9][10][12][13][14][25][26][27][28][29][30][31][32][33][34][35][36][37] because their crystal structural investigations on deuterides have not been reported. Average metal cation-Al distance of Na 3 AlD 6 (3.65 Å) [33] is overlapped with NaAlD 4 (3.66 Å) [28].…”

Improvement on Hydrogen Storage Properties of Complex Metal Hydride

“…In fact, LiNa2AlH6 has been synthesized experimentally [112,113]. Mixed aluminohydrides such as LiMg(AlH4)3 and LiMgAlH6 have also been predicted based on DFT studies and have been synthesized and characterized experimentally [119,120]. Although their overall hydrogen storage performance was not fully examined, some of these compounds exhibit favorable decomposition temperatures.…”

Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

“…50,51]. The best ground state candidate structures were previously identified for LiMg(AlH 4 ) 3 and were used as preliminary input for the refinement of crystallographic structure.…”