Phase transitions in ε-FeOOH at high pressure and ambient temperature

2020 ◽  
Vol 105 (12) ◽  
pp. 1769-1777
Author(s):  
Elizabeth C. Thompson ◽  
Anne H. Davis ◽  
Nigel M. Brauser ◽  
Zhenxian Liu ◽  
Vitali B. Prakapenka ◽  
...  
Keyword(s):  
High Pressure ◽  
Spin Transition ◽  
Outer Core ◽  
Optical Absorption Spectroscopy ◽  
X Ray Diffraction ◽  
Space Groups ◽  
Great Oxidation Event ◽  
Volume Collapse ◽  
Deep Earth ◽  
Induced Changes

Abstract Constraining the accommodation, distribution, and circulation of hydrogen in the Earth's interior is vital to our broader understanding of the deep Earth due to the significant influence of hydrogen on the material and rheological properties of minerals. Recently, a great deal of attention has been paid to the high-pressure polymorphs of FeOOH (space groups P21nm and Pnnm). These structures potentially form a hydrogen-bearing solid solution with AlOOH and phase H (MgSiO4H2) that may transport water (OH–) deep into the Earth's lower mantle. Additionally, the pyrite-type polymorph (space group Pa3 of FeOOH), and its potential dehydration have been linked to phenomena as diverse as the introduction of hydrogen into the outer core (Nishi et al. 2017), the formation of ultralow-velocity zones (ULVZs) (Liu et al. 2017), and the Great Oxidation Event (Hu et al. 2016). In this study, the high-pressure evolution of FeOOH was re-evaluated up to ~75 GPa using a combination of synchrotron-based X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and optical absorption spectroscopy. Based on these measurements, we report three principal findings: (1) pressure-induced changes in hydrogen bonding (proton disordering or hydrogen bond symmetrization) occur at substantially lower pressures in ε-FeOOH than previously reported and are unlikely to be linked to the high-spin to low-spin transition; (2) ε-FeOOH undergoes a 10% volume collapse coincident with an isostructural Pnnm → Pnnm transition at approximately 45 GPa; and (3) a pressure-induced band gap reduction is observed in FeOOH at pressures consistent with the previously reported spin transition (40 to 50 GPa).

scholarly journals Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3

2020 ◽  
Vol 5 (1) ◽  
Author(s):  
Raimundas Sereika ◽  
Peitao Liu ◽  
Bongjae Kim ◽  
Sooran Kim ◽  
Jianbo Zhang ◽  
...  
Keyword(s):  
High Pressure ◽  
Structural Transition ◽  
Metallic State ◽  
Polar Phase ◽  
X Ray Diffraction ◽  
Metal Insulator ◽  
X Ray ◽  
New States ◽  
Induced Changes ◽  
Electronic Character

Abstract The perovskite NaOsO3 has a metal–insulator transition at temperature 410 K, which is delicate, intriguing, and provokes a lot of debate on its nature. Our combined electrical resistance, Raman, and synchrotron x-ray diffraction experiments show that the insulating ground state in this osmate endures under high pressure up to at least 35 GPa. In this pressure range, compression reveals hidden hysteretic resistance properties with a transient metallic state near 200 K, manifested three electronic character anomalies (at 1.7, 9.0, and 25.5 GPa), and a structural transition to the singular polar phase (at ~18 GPa). We distinguish NaOsO3 from the regular crystallographic behavior of perovskites, though the electrical specificities resemble iridates and nickelates. The theoretical first-principle band structure and lattice dynamics calculations demonstrate that the magnetically itinerant Lifshitz-type mechanism with spin–orbit and spin–phonon interactions is responsible for these pressure-induced changes. Our findings provide another new playground for the emergence of new states in 5d materials by using high-pressure methods.

scholarly journals High-Pressure and High-Temperature Phase Transitions in Fe2TiO4 and Mg2TiO4 with Implications for Titanomagnetite Inclusions in Superdeep Diamonds

Minerals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 614 ◽  
Author(s):  
Akaogi ◽  
Tajima ◽  
Okano ◽  
Kojitani
Keyword(s):  
High Pressure ◽  
Phase Transitions ◽  
High Temperature ◽  
Spin Transition ◽  
Calcium Titanate ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Spinel Type ◽  
Perovskite Type

Phase transitions of Mg2TiO4 and Fe2TiO4 were examined up to 28 GPa and 1600 °C using a multianvil apparatus. The quenched samples were examined by powder X-ray diffraction. With increasing pressure at high temperature, spinel-type Mg2TiO4 decomposes into MgO and ilmenite-type MgTiO3 which further transforms to perovskite-type MgTiO3. At 21 GPa, the assemblage of MgTiO3 perovskite + MgO changes to 2MgO + TiO2 with baddeleyite (or orthorhombic I)-type structure. Fe2TiO4 undergoes transitions similar to Mg2TiO4 with pressure: spinel-type Fe2TiO4 dissociates into FeO and ilmenite-type FeTiO3 which transforms to perovskite-type FeTiO3. Both of MgTiO3 and FeTiO3 perovskites change to LiNbO3-type phases on release of pressure. In Fe2TiO4, however, perovskite-type FeTiO3 and FeO combine into calcium titanate-type Fe2TiO4 at 15 GPa. The formation of calcium titanate-type Fe2TiO4 at high pressure may be explained by effects of crystal field stabilization and high spin–low spin transition in Fe2+ in the octahedral sites of calcium titanate-type Fe2TiO4. It is inferred from the determined phase relations that some of Fe2TiO4-rich titanomagnetite inclusions in diamonds recently found in São Luiz, Juina, Brazil, may be originally calcium titanate-type Fe2TiO4 at pressure above 15 GPa in the transition zone or lower mantle and transformed to spinel-type in the upper mantle conditions.

scholarly journals High pressure x-ray diffraction study of the volume collapse in Ba24Si100clathrate

2011 ◽  
Vol 83 (13) ◽  
Author(s):  
P. Toulemonde ◽  
D. Machon ◽  
A. San Miguel ◽  
M. Amboage
Keyword(s):  
High Pressure ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Volume Collapse

Microstructure and crystal symmetry of Pb2Sr2(Y/Ca)Cu3O9−δ

1990 ◽  
Vol 48 (4) ◽  
pp. 64-65
Author(s):  
Y. P. Lin ◽  
J. S. Xue ◽  
J. E. Greedan
Keyword(s):  
Electron Diffraction ◽  
High Temperature Superconductors ◽  
Carbon Film ◽  
Basic Structure ◽  
Crystal Symmetry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
New Family ◽  
Convergent Beam

A new family of high temperature superconductors based on Pb2Sr2YCu3O9−δ has recently been reported. One method of improving Tc has been to replace Y partially with Ca. Although the basic structure of this type of superconductors is known, the detailed structure is still unclear, and various space groups has been proposed. In our work, crystals of Pb2Sr2YCu3O9−δ with dimensions up to 1 × 1 × 0.25.mm and with Tc of 84 K have been grown and their superconducting properties described. The defects and crystal symmetry have been investigated using electron microscopy performed on crushed crystals supported on a holey carbon film.Electron diffraction confirmed x-ray diffraction results which showed that the crystals are primitive orthorhombic with a=0.5383, b=0.5423 and c=1.5765 nm. Convergent Beam Electron Diffraction (CBED) patterns for the and axes are shown in Figs. 1 and 2 respectively.

Symmetry breaking in convergent-beam diffraction

1989 ◽  
Vol 47 ◽  
pp. 480-481
Author(s):  
D.J. Eaglesham
Keyword(s):  
Symmetry Breaking ◽  
Point Group ◽  
X Ray Diffraction ◽  
Multiple Diffraction ◽  
Space Groups ◽  
Atomic Displacements ◽  
Small Probe ◽  
Phase Sensitive ◽  
Convergent Beam

Convergent Beam Electron Diffraction is now almost routinely used in the determination of the point- and space-groups of crystalline samples. In addition to its small-probe capability, CBED is also postulated to be more sensitive than X-ray diffraction in determining crystal symmetries. Multiple diffraction is phase-sensitive, so that the distinction between centro- and non-centro-symmetric space groups should be trivial in CBED: in addition, the stronger scattering of electrons may give a general increase in sensitivity to small atomic displacements. However, the sensitivity of CBED symmetry to the crystal point group has rarely been quantified, and CBED is also subject to symmetry-breaking due to local strains and inhomogeneities. The purpose of this paper is to classify the various types of symmetry-breaking, present calculations of the sensitivity, and illustrate symmetry-breaking by surface strains.CBED symmetry determinations usually proceed by determining the diffraction group along various zone axes, and hence finding the point group. The diffraction group can be found using either the intensity distribution in the discs

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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