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Atomistic structure model of the monoclinic (space group: , ; , , , ; from Ref. 21). The large, middle, and small spheres denote Li, B, and H atoms, respectively.
(a) Thermogravimetry (TG) and differential thermal analysis (DTA, downward is a direction of an endothermic reaction), and (b) quadrupole mass spectroscopy (QMS) profiles during heating process of . In the QMS profile, the other impurity gases, including B–H related gases, were not detected within the accuracies of the apparatus.
Powder x-ray diffraction (XRD) profiles of and its heated samples (measured at room temperature). The asterisk corresponds to the diffraction peak from the partially precipitated LiH, according to Eq. (1) and/or (2).
(a) Calculated -phonon mode frequencies of and (b) laser Raman spectra of and its heated samples (measured at room temperature). The close circles and plus correspond to the Raman modes due to the B–H bonding in and the B–B bonding in the partially precipitated phase according to Eq. (1) and/or (2), respectively.
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