High-Pressure Structural Behavior and Equation of State of Kagome Staircase Compound, Ni3V2O8

被引：13

作者：

Diaz-Anichtchenko, Daniel ^{[1
]}

Turnbull, Robin ^{[1
]}

Bandiello, Enrico ^{[1
]}

Anzellini, Simone ^{[2
]}

Errandonea, Daniel ^{[1
]}

机构：

[1] Univ Valencia, Dept Fis Aplicada, ICMUV, Dr Moliner 50, Burjassot 46100, Spain

[2] Diamond Light Source Ltd, Diamond House,Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England

来源：

CRYSTALS | 2020年 / 10卷 / 10期

关键词：

vanadate; kagome compound; high pressure; X-ray diffraction; equation of state; LATTICE;

D O I：

10.3390/cryst10100910

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

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: V-0 = 555.7(2) angstrom(3), K-0 = 139(3) GPa, and K-0 ' = 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.

引用

页码：1 / 11

页数：11

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