scholarly journals High-pressure X-ray diffraction, Raman and computational studies of MgCl2 up to 1 Mbar: Extensive pressure stability of the β-MgCl2 layered structure

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Elissaios Stavrou ◽  
Yansun Yao ◽  
Joseph M. Zaug ◽  
Sorin Bastea ◽  
Bora Kalkan ◽  
...  
Keyword(s):  
High Pressure ◽  
Layered Structure ◽  
Computational Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pressure Stability

Pressure-induced chemical decomposition of copper orthovanadate (α-Cu3V2O8)

2021 ◽  
Author(s):  
Daniel Diaz-Anichtchenko ◽  
Robin Turnbull ◽  
Enrico Bandiello ◽  
Simone Anzellini ◽  
Srungarpu N. Achary ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
High Pressure ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Theoretical Density ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
Chemical Decomposition ◽  
X Ray ◽  
Pressure Stability

The high pressure stability of α-Cu3V2O8 has been investigated via complementary high pressure synchrotron X-ray diffraction experiments and theoretical density functional theory calculations. The results of both experiment and theory...

scholarly journals Rational design of an unusual 2D-MOF based on Cu(i) and 4-hydroxypyrimidine-5-carbonitrile as linker with conductive capabilities: a theoretical approach based on high-pressure XRD

2020 ◽  
Vol 56 (66) ◽  
pp. 9473-9476
Author(s):  
Antonio A. García-Valdivia ◽  
Francisco J. Romero ◽  
Javier Cepeda ◽  
Diego P. Morales ◽  
Nicola Casati ◽  
...  
Keyword(s):  
High Pressure ◽  
Layered Structure ◽  
Theoretical Approach ◽  
Rational Design ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conductive Properties

A copper and 4-hydroxypyrimidine-5-carbonitrile based MOF presents a flexible 2D-layered structure in which, as shown by high pressure X-ray diffraction, the interlayer separation is modulated between 3.01 to 2.78 Å with varying conductive properties.

scholarly journals Pressure-induced order–disorder transition in Gd 1.5 Ce 0.5 Ti 2 O 7 pyrochlore

2019 ◽  
Vol 6 (9) ◽  
pp. 190842
Author(s):  
Jingjing Niu ◽  
Xiang Wu ◽  
Haibin Zhang ◽  
Shan Qin
Keyword(s):  
High Pressure ◽  
Unit Cell Volume ◽  
Pyrochlore Phase ◽  
X Ray Diffraction ◽  
Structure Transition ◽  
X Ray ◽  
Compression Behaviour ◽  
Cationic Radius ◽  
Pressure Stability ◽  
Induced Structure

An experimental study on ordered pyrochlore structured Gd 1.5 Ce 0.5 Ti 2 O 7 ( F d 3 ¯ m ) was carried out up to 45 GPa by synchrotron radiation X-ray diffraction and Raman spectroscopy. Experimental results show that Gd 1.5 Ce 0.5 Ti 2 O 7 transfers to a disordered cotunnite-like phase ( Pnma Z = 4) at approximately 42 GPa. Compared with the end member Gd 2 Ti 2 O 7 , the substitution of Ce 3+ for Gd 3+ increases the transition pressure and the high-pressure stability of the pyrochlore phase. This pressure-induced structure transition is mainly controlled by cationic order–disorder modification, and the cationic radius ratio r A / r B may also be effective for predicting the pyrochlore oxides' high-pressure stability. Two isostructural transitions are observed at 6.5 GPa and 13 GPa, and the unit-cell volume of Gd 1.5 Ce 0.5 Ti 2 O 7 as a function of pressure demonstrates its compression behaviour is rather complex.

Effect of high pressure-temperature on silicon layered structures as determined by X-ray diffraction and electron microscopy

2004 ◽  
Vol 27 (1-3) ◽  
pp. 415-418
Author(s):  
J. Bak-Misiuk ◽  
A. Misiuk ◽  
J. Ratajczak ◽  
A. Shalimov ◽  
I. Antonova ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
High Pressure ◽  
Layered Structures ◽  
X Ray Diffraction ◽  
X Ray

Revisiting the High-Pressure Properties of the Metal-Organic Frameworks ZIF-8 and ZIF-67

2020 ◽  
Author(s):  
Pia Vervoorts ◽  
Stefan Burger ◽  
Karina Hemmer ◽  
Gregor Kieslich
Keyword(s):  
High Pressure ◽  
State Of The Art ◽  
Energy Landscape ◽  
Structural Flexibility ◽  
Zeolitic Imidazolate Frameworks ◽  
Stimuli Responsive ◽  
X Ray Diffraction ◽  
X Ray ◽  
Open Questions ◽  
Metal Organic

The zeolitic imidazolate frameworks ZIF-8 and ZIF-67 harbour a series of fascinating stimuli responsive properties. Looking at their responsitivity to hydrostatic pressure as stimulus, open questions exist regarding the isotropic compression with non-penetrating pressure transmitting media. By applying a state-of-the-art high-pressure powder X-ray diffraction setup, we revisit the high-pressure behaviour of ZIF-8 and ZIF-67 up to <i>p</i> = 0.4 GPa in small pressure increments. We observe a drastic, reversible change of high-pressure powder X-ray diffraction data at <i>p</i> = 0.3 GPa, discovering large volume structural flexibility in ZIF-8 and ZIF-67. Our results imply a shallow underlying energy landscape in ZIF-8 and ZIF-67, an observation that might point at rich polymorphism of ZIF-8 and ZIF-67, similar to ZIF-4(Zn).<br>

Revisiting the High-Pressure Properties of the Metal-Organic Frameworks ZIF-8 and ZIF-67

2020 ◽  
Author(s):  
Pia Vervoorts ◽  
Stefan Burger ◽  
Karina Hemmer ◽  
Gregor Kieslich
Keyword(s):  
High Pressure ◽  
State Of The Art ◽  
Energy Landscape ◽  
Structural Flexibility ◽  
Zeolitic Imidazolate Frameworks ◽  
Stimuli Responsive ◽  
X Ray Diffraction ◽  
X Ray ◽  
Open Questions ◽  
Metal Organic

The zeolitic imidazolate frameworks ZIF-8 and ZIF-67 harbour a series of fascinating stimuli responsive properties. Looking at their responsitivity to hydrostatic pressure as stimulus, open questions exist regarding the isotropic compression with non-penetrating pressure transmitting media. By applying a state-of-the-art high-pressure powder X-ray diffraction setup, we revisit the high-pressure behaviour of ZIF-8 and ZIF-67 up to <i>p</i> = 0.4 GPa in small pressure increments. We observe a drastic, reversible change of high-pressure powder X-ray diffraction data at <i>p</i> = 0.3 GPa, discovering large volume structural flexibility in ZIF-8 and ZIF-67. Our results imply a shallow underlying energy landscape in ZIF-8 and ZIF-67, an observation that might point at rich polymorphism of ZIF-8 and ZIF-67, similar to ZIF-4(Zn).<br>

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

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