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The crystal structure of CeN was investigated up to pressures of 82 GPa,using diamond anvil cell powder X-ray diffraction in two experiments with Heand Si-oil as the pressure transmitting media. In contrast to previous reports,we do not observe the B2 (CsCl type) structure at high pressure. Instead, thestructural phase transition, starting at 65 GPa, from the ambient rock salt B1structure results in a distorted CsCl-like B10 structure, irrespective of thepressure medium. Our result unambiguously confirms two recent densityfunctional theory (DFT) studies predicting the B10 phase to be stable at thesepressures, rather than the B2 (CsCl type) phase previously reported. The B10structure appears to approach the B2 structure as pressure is increasedfurther, but DFT calculations indicate that an L1 0 structure (AuCu type) isenergetically favored.

Experimental evidence for pressure-induced first order transition in cerium nitride from B1 to B10 structure type