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The effect of pressure on the crystalline structure and superconductingtransition temperature (Tc) of the 111-type Na1-xFeAs system using in situ highpressure synchrotron x-ray powder diffraction and diamond anvil cell techniquesis studied. A pressure-induced tetragonal to tetragonal isostructural phasetransition was found. The systematic evolution of the FeAs4 tetrahedron as afunction of pressure based on Rietveld refinements on the powder x-raydiffraction patterns was obtained. The non-monotonic Tc(P) behavior ofNa1-xFeAs is found to correlate with the anomalies of the distance between theanion (As) and the iron layer as well as the bond angle between As-Fe-As forthe two tetragonal phases. This behavior provides the key structuralinformation in understanding the origin of the pressure dependence of Tc for111-type iron pnictide superconductors. A pressure-induced structural phasetransition is also observed at 20 GPa.

Pressure-induced isostructural phase transition and correlation of FeAs coordination with the superconducting properties of 111-type Na1-xFeAs