Li4FeH6: Iron-containing complex hydride with high gravimetric hydrogen density

Hiroyuki Saitoh, Shigeyuki Takagi, Motoaki Matsuo, Yuki Iijima, Naruki Endo, Katsutoshi Aoki, Shin Ichi Orimo

Research output: Contribution to journalArticlepeer-review

28 Citations (Scopus)


Li4FeH6, which has the highest gravimetric hydrogen density of iron-containing complex hydrides reported so far, is synthesized by hydrogenation of a powder mixture of iron and LiH above 6.1 GPa at 900°C. In situ synchrotron radiation X-ray diffraction measurements reveal that while kinetics require high temperature and thus high pressure for the synthesis, Li4FeH6 is expected to be thermodynamically stable slightly below room temperature at ambient pressure; further synthetic studies to suppress the kinetic effects may enable us to synthesize Li 4FeH6 at moderate pressures. Li4FeH6 can be recovered at ambient conditions where Li4FeH6 is metastable.

Original languageEnglish
Article number076103
JournalAPL Materials
Issue number7
Publication statusPublished - 2014 Jul


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