In situ high-pressure single-crystal X-ray diffraction and Raman spectroscopy analyses were performed on a natural bismutotantalite with an α-BiTaO structure. The results indicate that α-BiTaO transforms into an orthorhombic phase (HP γ-BiTaO), likely through an intermediate orthorhombic phase (HP β-BiTaO). The transition pressures are 11.0-11.8 GPa for α-BiTaO → HP β-BiTaO and 13.9-14.4 GPa for HP β-BiTaO → HP γ-BiTaO transition. The phase transitions are reversible. Although the structure of HP β-BiTaO was not successfully solved, the possible space group was determined to be 2, with unit-cell parameters calculated at 12.2 GPa: = 4.8158(18) Å, = 33.8880(80) Å, = 5.2910(5) Å. In contrast, the structure of HP γ-BiTaO was successfully solved and refined at 28.0 GPa, revealing a space group and unit-cell parameters of = 9.8999(12) Å, = 5.0435(16) Å, = 10.8331(8) Å. The significant volume collapse of 6.2% through the phase transition and the increase in coordination numbers of Bi and Ta from 6 in α-BiTaO to 8/9 in HP γ-BiTaO indicate that the HP γ-BiTaO structure is considerably more compacted. Additionally, the equation of state for both α-BiTaO and HP γ-BiTaO was also studied.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.inorgchem.5c00260 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Phase Change-Mediated Capture of Carbon Dioxide from Air with a Molecular Triamine Network Solid.
J Am Chem Soc
March 2025
Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States.
The efficient removal of CO from exhaust streams and even directly from air is necessary to forestall climate change, lending urgency to the search for new materials that can rapidly capture CO at high capacity. The recent discovery that diamine-appended metal-organic frameworks can exhibit cooperative CO uptake via the formation of ammonium carbamate chains begs the question of whether simple organic polyamine molecules could be designed to achieve a similar switch-like behavior with even higher separation capacities. Here, we present a solid molecular triamine, 1,3,5-tris(aminomethyl)benzene (TriH), that rapidly captures large quantities of CO upon exposure to humid air to form the porous, crystalline, ammonium carbamate network solid TriH(CO)·HO (TriHCO).
View Article and Find Full Text PDFTopologically reconfigurable nematic emulsions.
Proc Natl Acad Sci U S A
March 2025
School of Physics, University of Hyderabad, Hyderabad 500046, India.
In emulsions of multicomponent fluids, the dispersed phase forms tiny droplets in the continuous phase. In situ control and manipulation to achieve diversity in emulsion droplets for emerging applications is challenging. In a liquid crystal-based emulsion, the surface anchoring of the molecules at the isotropic fluid-liquid crystal interface introduces elastic distortions that result in anisotropic interparticle interactions, similar to electrostatic interactions between multipoles, which also lends a naming analogy as elastic dipoles, quadrupoles, and higher.
View Article and Find Full Text PDFTheoretical evidence of the CO reduction by a Mo-based complex: a DFT study based on the reaction force decomposed into four components.
J Mol Model
March 2025
Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello (UNAB), Av. República 275, Santiago, 8370146, Región Metropolitana, Chile.
Context: The conversion of carbon dioxide into methanoic acid through direct hydrogenation with H in the gas phase implies overcoming a high activation energy (more than 60 kcal mol ) that makes the process kinetically infeasible. In this study, the use of the [(PY Me )Mo(III)(H)(OH)] complex instead of H lowered the activation energy of the hydrogenation by 98.5%.
View Article and Find Full Text PDFManipulating Interfacial Stability via Preferential Absorption for Highly Stable and Safe 4.6 V LiCoO Cathode.
Nanomicro Lett
March 2025
Key Laboratory of Hydraulic Machinery Transients, Ministry of Education, School of Power and Mechanical Engineering, Wuhan University, Wuhan, 430072, People's Republic of China.
Elevating the upper cutoff voltage to 4.6 V could effectively increase the reversible capacity of LiCoO (LCO) cathode, whereas the irreversible structural transition, unstable electrode/electrolyte interface and potentially induced safety hazards severely hinder its industrial application. Building a robust cathode/electrolyte interface film by electrolyte engineering is one of the efficient approaches to boost the performance of high-voltage LCO (HV-LCO); however, the elusive interfacial chemistry poses substantial challenges to the rational design of highly compatible electrolytes.
View Article and Find Full Text PDFPressure-Induced Phase Transitions in Bismutotantalite (BiTaO): Insights from Single-Crystal Diffraction and Raman Spectroscopy.
Inorg Chem
March 2025
Key Laboratory of High-Temperature and High-Pressure Study of the Earth's Interior, Institute of Geochemistry, Chinese Academy of Sciences, Guiyang, Guizhou 550081, China.
In situ high-pressure single-crystal X-ray diffraction and Raman spectroscopy analyses were performed on a natural bismutotantalite with an α-BiTaO structure. The results indicate that α-BiTaO transforms into an orthorhombic phase (HP γ-BiTaO), likely through an intermediate orthorhombic phase (HP β-BiTaO). The transition pressures are 11.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!