Search results for "Wolframite"

Effects of pressure on the local atomic structure of CaWO4 and YLiF4: mechanism of the scheelite-to-wolframite and scheelite-to-fergusonite transitio…

2003

The pressure response of the scheelite phase of CaWO4 (YLiF4) and the occurrence of the pressure induced scheelite-to-wolframite (M-fergusonite) transition are reviewed and discussed. It is shown that the change of the axial parameters under compression is related with the different pressure dependence of the W-O (Li-F) and Ca-O (Y-F) interatomic bonds. Phase transition mechanisms for both compounds are proposed. Furthermore, a systematic study of the phase transition in 16 different scheelite ABX4 compounds indicates that the transition pressure increases as the packing ratio of the anionic BX4 units around the A cations increases.

Electronic properties and high-pressure behavior of wolframite-type CoWO4

2021

In this work we characterize wolframite-type CoWO4 under ambient conditions and under compression up to 10 GPa, with emphasis on its electronic structure. X-Ray diffraction and vibrational experiments, supported by ab initio calculations, show that CoWO4 is stable under high-pressure conditions, as no structural changes are detected in the studied pressure range. Interesting findings come from optical absorption spectroscopy. On the one hand, CoWO4 is confirmed to have one of the lowest band gaps among similar wolframites, around 2.25 eV. This makes CoWO4 suitable for use in applications such as the photocatalysis of organic pollutants and water splitting. Additionally, a monotonic decrease…

2020

Abstract The structural stability and physical properties of CrVO4 under compression were studied by x-ray diffraction, Raman spectroscopy, optical absorption, resistivity measurements, and ab initio calculations up to 10 GPa. High-pressure x-ray diffraction and Raman measurements show that CrVO4 undergoes a phase transition from the ambient pressure orthorhombic CrVO4-type structure (Cmcm space group, phase III) to the high-pressure monoclinic CrVO4-V phase, which is proposed to be isomorphic to the wolframite structure. Such a phase transition (CrVO4-type → wolframite), driven by pressure, also was previously observed in indium vanadate. The crystal structure of both phases and the pressu…

Brief Review of the Effects of Pressure on Wolframite-Type Oxides

2018

In this article we review the advances that have been made on the understanding of the high-pressure structural, vibrational, and electronic properties of wolframite-type oxides since the first works in the early 1990s. Mainly tungstates, which are the best known wolframites, but also tantalates and niobates, with an isomorphic ambient-pressure wolframite structure, have been included in this review. Apart from estimating the bulk moduli of all known wolframites; the cation-oxygen bond distances and their change with pressure have been correlated with their compressibility. The composition variations of all wolframites have been employed to understand their different structural phase transi…

A Brief Review of the Effects of Pressure on Wolframite-Type Oxides

2018

In this article, we review the advances that have been made on the understanding of the high-pressure (HP) structural, vibrational, and electronic properties of wolframite-type oxides since the first works in the early 1990s. Mainly tungstates, which are the best known wolframites, but also tantalates and niobates, with an isomorphic ambient-pressure wolframite structure, have been included in this review. Apart from estimating the bulk moduli of all known wolframites, the cation–oxygen bond distances and their change with pressure have been correlated with their compressibility. The composition variations of all wolframites have been employed to understand their different structural phase …

Local atomic and electronic structure of tungsten ions in AWO4 crystals of scheelite and wolframite types

2001

Abstract X-ray absorption spectroscopy was used to study the local atomic and electronic structure of tungsten ions in polycrystalline scheelite CaWO4 and wolframite-type ZnWO4 and NiWO4. The W L1- and L3-edges X-ray absorption near edge structure (XANES) signals suggest tetrahedral coordination of tungsten ions in CaWO4 and strongly distorted octahedral coordination in ZnWO4 and NiWO4. Accurate analysis of the W L3-edge extended X-ray absorption fine structure (EXAFS) signals by the regularization procedure was performed to reconstruct the radial distribution functions within the first coordination shell around tungsten atoms in AWO4 crystals and polycrystalline WO3, which was utilized for…