PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
April 1, 2026Inorganic ChemistryOpen Access

Crystal Structure of the High-Pressure Phase of Ca(BH 4 ) 2 and Further Structural Changes up to 70 GPa

View Full Paper
Ask AI
Bookmark
Share

Authors

SNSatoshi NakanoHFHiroshi FujihisaHYHiroshi Yamawaki

Discussion

Loading...

Member takes

Overview

Investigation reveals multiple structural changes in calcium borohydride under high pressure, implying potential new material properties.

Key Points

  • This research examines the structural changes of calcium borohydride when subjected to high pressure, focusing on determining the crystal structures.
  • Used X-ray diffraction and Raman scattering to analyze structural changes.
  • Investigated pressures up to 70 GPa.
  • Applied density functional theory for structural modeling.
  • Conducted Rietveld refinement on XRD patterns.
  • Observed a phase transition from α-Ca(BH4)2 to HP1 at 2.1 GPa.
  • HP1 structure resembles the ambient phase with a volume change of about 1.7%.
  • Suggested further transition to HP2 above 20 GPa, though its structure remains undetermined.
  • Short-range structural features were preserved in HP2, indicating potential amorphous characteristics.

Cite This Study

Nakano et al. (2026) studied this question.

synapsesocial.com/papers/69ccb6ce16edfba7beb88821https://doi.org/10.1021/acs.inorgchem.6c00382
View Full Paper
Ask AI
Bookmark
Share