Lithium boro-hydride LiBH4

Soulié, J-Ph; Renaudin, Guillaume; Černý, Radovan; Yvon, K.

doi:10.1016/s0925-8388(02)00521-2

Cited by 410 publications

(343 citation statements)

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“…The title compound is apparently the same as the material obtained by Nakamori et al through the balling milling of ScC1 3 and LiBH 4 in 1:3 molar ratio which they misformulated as Sc(BH 4 ) 3 . 18 Their observation of the onset of hydrogen desorption for the compound around 450 K and complete release of hydrogen around 529 K 18 is noteworthy in view of its very high, 14.4, hydrogen weight percentage.…”

Section: Discussionsupporting

confidence: 60%

“…The disordering of Li to the 4k position decreases the number of coordinating BH 4 groups from four to two but with Li-B distances of 2.54(1) Å (Figure 4b), closer to this distance observed in LiBH 4 (2.48-2.54 Å). 3,35 Whether the disordering of Li along the c-axis of the tetragonal structure is of dynamic or static nature stays to be investigated. However, it indicates a high mobility of the Li atoms in this compound which is possibly as good ionic conductor as it was recently recognized for the HT-phase of LiBH 4 .…”

Section: Resultsmentioning

confidence: 99%

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LiSc(BH₄)₄: A Novel Salt of Li⁺ and Discrete Sc(BH₄)₄⁻ Complex Anions

et al. 2008

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LiSc(BH 4 ) 4 has been prepared by ball milling of LiBH 4 and ScCl 3 . Vibrational spectroscopy indicates the presence of discrete Sc(BH 4 ) 4 -ions. DFT calculations of this isolated complex ion confirm that it is a stable complex, and the calculated vibrational spectra agree well with the experimental ones. The four BH 4 -groups are oriented with a tilted plane of three hydrogen atoms directed to the central Sc ion, resulting in a global 8 + 4 coordination. The crystal structure obtained by high-resolution synchrotron powder diffraction reveals a tetragonal unit cell with a ) 6.076 Å and c ) 12.034 Å (space group P-42c). The local structure of the Sc(BH 4 ) 4 -complex is refined as a distorted form of the theoretical structure. The Li ions are found to be disordered along the z axis.

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Section: Discussionsupporting

confidence: 60%

Section: Resultsmentioning

confidence: 99%

LiSc(BH₄)₄: A Novel Salt of Li⁺ and Discrete Sc(BH₄)₄⁻ Complex Anions

et al. 2008

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“…Their solid-state structures contain relatively mobile tetrahedral [BH 4 ] − units, the ordering of which tends to induce structural phase transitions. In LiBH 4 , for example, a phase transition occurs at 384 K that originates from the reorientation motion of the [BH 4 ] − ions as shown by synchrotron diffraction [2] and Raman spectroscopy [3]. While the disordered high temperature (HT) phase has hexagonal symmetry the ordered low temperature (LT) phase has orthorhombic symmetry [2][3][4].…”

Section: Introductionmentioning

confidence: 99%

“…In LiBH 4 , for example, a phase transition occurs at 384 K that originates from the reorientation motion of the [BH 4 ] − ions as shown by synchrotron diffraction [2] and Raman spectroscopy [3]. While the disordered high temperature (HT) phase has hexagonal symmetry the ordered low temperature (LT) phase has orthorhombic symmetry [2][3][4]. The structure of the sodium compound NaBD 4 has been investigated by neutron diffraction [5,6].…”

Section: Introductionmentioning

confidence: 99%

Structural and spectroscopic studies on the alkali borohydrides MBH4 (M = Na, K, Rb, Cs)

Renaudin

Gomes

Hagemann

et al. 2004

Journal of Alloys and Compounds

183

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Alkali borohydrides MBH 4 and their deuterides have been investigated by X-ray and neutron powder diffraction (M = K, Rb, Cs) and by infrared and Raman spectroscopy (M = Na, K, Rb, Cs). At room temperature the compounds crystallize with a cubic high temperature (HT) structure having Fm3m symmetry in which the [BH 4 ] − complexes are disordered. At low temperature (LT) the potassium compound transforms into a tetragonal low temperature structure having P4 2 /n mc symmetry in which the [BH 4 ] − complexes are ordered such as in the isotypic sodium congener. The B-H distances within the complex as measured on the deuteride at 1.5 K are 1.205(3) Å. Indications for a partial ordering in the rubidium and cesium compounds exist but are not sufficient for a full structural characterization. Infrared and Raman spectra at room temperature are fully assigned for both hydrides and deuterides, including the overtones and combination bands, the Fermi resonance type interactions and the 10 B to 11 B splitting due to the presence of natural boron in the samples.

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“…cations and [BH 4 ] -anions, can be found in different polymorphs, depending on pressure and temperature (see Fig. 2) [24][25][26][27]. The orthorhombic phase, which is the stable phase at room temperature, has a low ionic conductivity (*10 -8 S cm -1 at 30°C).…”

Section: Introduction: the Relevance Of Solid-state Electrolytesmentioning

confidence: 99%