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<p>Reaching pressures in the 100 GPa range enables the synthesis of hydrogen-rich compounds with non-traditional hydrogen stoichiometries and hydrogen sublattices. The remarkable properties of such polyhydrides, including superconductivity, have attracted great interest. A crucial next step is their recovery under ambient conditions. Here we report the synthesis of Y<sub>3</sub>Fe<sub>4</sub>H<sub>20</sub> at pressures starting from 60 GPa by compressing a hydrogenated Y-Fe compound, embedded in hydrogen in a laser-heated diamond anvil cell. Single-crystal X-ray diffraction resolves the Y<sub>3</sub>Fe<sub>4</sub> lattice framework, while a constrained ab initio structural search is used to determine the hydrogen positions. FeH<sub>8</sub> units form the building blocks and are connected edge-to-edge by sharing two hydrogen atoms, creating a framework that hosts Y cations. Y<sub>3</sub>Fe<sub>4</sub>H<sub>20</sub> can be recovered at ambient conditions, where it stays metastable for tens of hours.</p>

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Ambient pressure recovery of the structurally unconventional hydride Y3Fe4H20

  • 期刊论文

  • 出版模式：

    开放获取

  • 发表日期：

    2026年6月20日

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  • Maélie Caussé,
  • Loïc Toraille,
  • Grégory Geneste,
  • Paul Loubeyre

摘要

Reaching pressures in the 100 GPa range enables the synthesis of hydrogen-rich compounds with non-traditional hydrogen stoichiometries and hydrogen sublattices. The remarkable properties of such polyhydrides, including superconductivity, have attracted great interest. A crucial next step is their recovery under ambient conditions. Here we report the synthesis of Y3Fe4H20 at pressures starting from 60 GPa by compressing a hydrogenated Y-Fe compound, embedded in hydrogen in a laser-heated diamond anvil cell. Single-crystal X-ray diffraction resolves the Y3Fe4 lattice framework, while a constrained ab initio structural search is used to determine the hydrogen positions. FeH8 units form the building blocks and are connected edge-to-edge by sharing two hydrogen atoms, creating a framework that hosts Y cations. Y3Fe4H20 can be recovered at ambient conditions, where it stays metastable for tens of hours.