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High-pressure structural behavior and equation of state of kagome staircase compound, Ni3V2O8

DOI: 10.3390/cryst10100910 DOI Help

Authors: Daniel Diaz-anichtchenko (Universitat de València) , Robin Turnbull (Universitat de València) , Enrico Bandiello (Universitat de València) , Simone Anzellini (Diamond Light Source; CEA) , Daniel Errandonea (Universitat de València)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Crystals , VOL 10

State: Published (Approved)
Published: October 2020
Diamond Proposal Number(s): 21610

Open Access Open Access

Abstract: We report on high-pressure synchrotron X-ray diffraction measurements on Ni3V2O8 at room-temperature up to 23 GPa. According to this study, the ambient-pressure orthorhombic structure remains stable up to the highest pressure reached in the experiments. We have also obtained the pressure dependence of the unit-cell parameters, which reveals an anisotropic compression behavior. In addition, a room-temperature pressure–volume third-order Birch–Murnaghan equation of state has been obtained with parameters: V0 = 555.7(2) Å3, K0 = 139(3) GPa, and K0′ = 4.4(3). According to this result, Ni3V2O8 is the least compressible kagome-type vanadate. The changes of the crystal structure under compression have been related to the presence of a chain of edge-sharing NiO6 octahedral units forming kagome staircases interconnected by VO4 rigid tetrahedral units. The reported results are discussed in comparison with high-pressure X-ray diffraction results from isostructural Zn3V2O8 and density-functional theory calculations on several isostructural vanadates.

Journal Keywords: vanadate; kagome compound; high pressure; X-ray diffraction; equation of state

Subject Areas: Chemistry


Instruments: I15-Extreme Conditions

Documents:
crystals-10-00910-v2.pdf