{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Ranieri U"],"funding":["Swiss National Science Foundation"],"pagination":["220"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11443071"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["7(1)"],"pubmed_abstract":["Ammonium fluoride (NH₄F) exhibits a variety of crystalline phases depending on temperature and pressure. By employing Raman spectroscopy and synchrotron X-ray diffraction beyond megabar pressures (up to 140 GPa), we have here observed a novel dense solid phase of NH₄F, characterised by the tetragonal P4/nmm structure also observed in other ammonium halides under less extreme pressure conditions, typically a few GPa. Using detailed ab-initio calculations and reevaluating earlier theoretical models pertaining to other ammonium halides, we examine the microscopic mechanisms underlying the transition from the low-pressure cubic phase (P-43m) to the newly identified high-pressure tetragonal phase (P4/nmm). Notably, NH₄F exhibits distinctive properties compared to its counterparts, resulting in "],"journal":["Communications chemistry"],"pubmed_title":["Structural phase transition in NH₄F under extreme pressure conditions."],"pmcid":["PMC11443071"],"funding_grant_id":["212889"],"pubmed_authors":["Loveday JS","Shukla A","Conway LJ","Bellin C","Ranieri U","Gaal R","Hermann A","Bove LE"],"additional_accession":[]},"is_claimable":false,"name":"Structural phase transition in NH₄F under extreme pressure conditions.","description":"Ammonium fluoride (NH₄F) exhibits a variety of crystalline phases depending on temperature and pressure. By employing Raman spectroscopy and synchrotron X-ray diffraction beyond megabar pressures (up to 140 GPa), we have here observed a novel dense solid phase of NH₄F, characterised by the tetragonal P4/nmm structure also observed in other ammonium halides under less extreme pressure conditions, typically a few GPa. Using detailed ab-initio calculations and reevaluating earlier theoretical models pertaining to other ammonium halides, we examine the microscopic mechanisms underlying the transition from the low-pressure cubic phase (P-43m) to the newly identified high-pressure tetragonal phase (P4/nmm). Notably, NH₄F exhibits distinctive properties compared to its counterparts, resulting in ","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Sep","modification":"2025-04-04T01:51:56.54Z","creation":"2025-04-04T01:51:56.54Z"},"accession":"S-EPMC11443071","cross_references":{"pubmed":["39349697"],"doi":["10.1038/s42004-024-01309-w"]}}