The invention discloses a hexagonal
scandium hydrogen compound and a preparation method thereof, and the preparation method comprises the following steps: taking a
borane ammine complex as a
solid hydrogen source, tabletting the
borane ammine complex and elemental
scandium through a mold, and stacking according to'
hydrogen source-
scandium-hydrogen source '; loading the
assembly into a CVD
diamond single crystal tube with holes, and carrying out secondary wrapping with NaCl to form a sealed reaction unit; carrying out segmented pressurization / depressurization in a cubic press, electrifying and segmented heating under the condition of 800-1200 DEG C, and carrying out pressure maintaining and cooling to complete synthesis; according to the method, local high
hydrogen partial pressure is established under the action of moderate
high pressure and double-layer sealing, external introduction of high-pressure hydrogen is avoided, and the equipment complexity and the
safety risk are reduced; the product prepared by the invention is hexagonal-phase ScH3, can stably exist at normal temperature and normal pressure, and is different from cubic-phase ScH3 which can only be synthesized under an extreme high-pressure condition and cannot be kept stable after pressure relief, XRD and structure refinement are consistent with the standard, and the process can be repeated and amplified.