Search for Articles:
Title / Keyword
Author / Affiliation / Email
Journal
Article Type
 
 
Advanced Search
 
Section
Special Issue
Volume
Issue
Number
Page
 
3.9
2.5
Journals
Minerals
Special Issues
Crystal Structures and Phase Transitions of Minerals at Extreme Conditions
share announcement

Crystal Structures and Phase Transitions of Minerals at Extreme Conditions

A special issue of Minerals (ISSN 2075-163X). This special issue belongs to the section "Crystallography and Physical Chemistry of Minerals & Nanominerals".

Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 9982

Special Issue Editor

Dr. Daniel Hummer

E-Mail Website
Guest Editor
School of Earth Systems and Sustainability, Southern Illinois University Carbondale, 1259 Lincoln Drive, Carbondale, IL 62901, USA
Interests: crystallization mechanisms; crystallography; crystal chemistry; phase equilibria and phase transitions at high pressure/temperature

Special Issue Information

Dear Colleagues,

Earth’s internal composition and structure is heavily influenced by the varied stability of crystalline phases at the extreme pressures and temperatures found in the planet’s interior. For example, many important rheological and seismological boundaries can be explained in terms of phase transitions occurring in volumetrically abundant minerals. In this Special Issue of Minerals, we invite contributions examining the crystallography, crystal chemistry, hydration behavior, phase stability, and phase transition behavior of mineral phases under the extreme conditions of Earth’s deep crust, mantle, and core. Both experimental and computational studies that shed light on the behavior of important crystal structures at high P–T conditions are welcome, especially those that examine changes in symmetry, bonding, order–disorder relations, or general structure as a function of pressure and temperature.

Dr. Daniel Hummer
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Minerals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2400 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • mantle
  • core
  • high pressure/temperature
  • phase equilibria
  • phase transitions
  • phase boundaries
  • high-pressure crystallography

Published Papers (8 papers)

Download All Papers
Order results
Result details
Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:

Research

11 pages, 3306 KiB  
Article
Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
by Pat Kalita, Paul E. Specht, Justin L. Brown, Lena M. Pacheco, Josh M. Usher and Christopher T. Seagle
Minerals 2023, 13(9), 1226; https://doi.org/10.3390/min13091226 - 18 Sep 2023
Cited by 1 | Viewed by 642
Abstract
The mineral CaF2 is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is [...] Read more.
The mineral CaF2 is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is at the forefront of condensed matter physics, both for its theoretical importance and its relevance to technological applications at extreme conditions of pressure and temperature. Here we probe the α → γ → α structural transformations taking place over the nanosecond timescale of a dynamic event, beginning-to-end: from the principal shock Hugoniot state, followed by a quasi-steady off-Hugoniot release state, and finally the unsteady return to near-ambient conditions. We present quantitative, atomic-scale data of the unfolding of the dynamically driven phase transition and its subsequent reversal close to the α/γ phase boundary. Dynamic loading with a two-stage gas gun is coupled with in situ time-resolved synchrotron X-ray diffraction and with continuum scale velocimetry at the Dynamic Compression Sector (DCS), Advanced Photon Source, Argonne National Laboratory. Our results demonstrate the time dependence of phase transitions and highlight the need for modeling of transition kinetics in dynamically driven processes. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

21 pages, 4812 KiB  
Article
Exploring the High-Pressure Phases of Carbon through X-ray Diffraction of Dynamic Compression Experiments on Sandia’s Z Pulsed Power Facility
by Tommy Ao, Pat Kalita, Caroline Blada, Nathan P. Brown, Karin Fulford, Paul Gard, Matthias Geissel, Heath Hanshaw, Michael Montoya, Sheri Payne, Edward Scoglietti, Anthony Smith, Christopher Shane Speas, John L. Porter and Christopher T. Seagle
Minerals 2023, 13(9), 1203; https://doi.org/10.3390/min13091203 - 13 Sep 2023
Cited by 1 | Viewed by 941
Abstract
The carbon phase diagram is rich with polymorphs which possess very different physical and optical properties ideal for different scientific and engineering applications. An understanding of the dynamically driven phase transitions in carbon is particularly important for applications in inertial confinement fusion, as [...] Read more.
The carbon phase diagram is rich with polymorphs which possess very different physical and optical properties ideal for different scientific and engineering applications. An understanding of the dynamically driven phase transitions in carbon is particularly important for applications in inertial confinement fusion, as well as planetary and meteorite impact histories. Experiments on the Z Pulsed Power Facility at Sandia National Laboratories generate dynamically compressed high-pressure states of matter with exceptional uniformity, duration, and size that are ideal for investigations of fundamental material properties. X-ray diffraction (XRD) is an important material physics measurement because it enables direct observation of the strain and compression of the crystal lattice, and it enables the detection and identification of phase transitions. Several unique challenges of dynamic compression experiments on Z prevent using XRD systems typically utilized at other dynamic compression facilities, so novel XRD diagnostics have been designed and implemented. We performed experiments on Z to shock compress carbon (pyrolytic graphite) samples to pressures of 150–320 GPa. The Z-Beamlet Laser generated Mn-Heα (6.2 keV) X-rays to probe the shock-compressed carbon sample, and the new XRD diagnostics measured changes in the diffraction pattern as the carbon transformed into its high-pressure phases. Quantitative analysis of the dynamic XRD patterns in combination with continuum velocimetry information constrained the stability fields and melting of high-pressure carbon polymorphs. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

16 pages, 8316 KiB  
Article
The Peritectic Reaction of Olivine as the Mechanism of the Ultrabasic–Basic Evolution of the Diamond-Forming Silicate-Carbonate-(C-O-H) System: Experiments at 6.0 GPa
by Yuriy A. Litvin, Anastasiya V. Kuzyura and Anna V. Spivak
Minerals 2023, 13(8), 1040; https://doi.org/10.3390/min13081040 - 04 Aug 2023
Viewed by 765
Abstract
Melting phase relations of the diamond-forming olivine (Ol)–jadeite (Jd)–diopside (Di)–(Mg, Fe, Ca, Na)-carbonates (Carb)–(C-O-H-fluid) system are studied in experiments at 6.0 GPa in the polythermal Ol74Carb18.5(C-O-H)7.5-Omp74Carb18.5(C-O-H)7.5 section, where Ol = Fo80 [...] Read more.
Melting phase relations of the diamond-forming olivine (Ol)–jadeite (Jd)–diopside (Di)–(Mg, Fe, Ca, Na)-carbonates (Carb)–(C-O-H-fluid) system are studied in experiments at 6.0 GPa in the polythermal Ol74Carb18.5(C-O-H)7.5-Omp74Carb18.5(C-O-H)7.5 section, where Ol = Fo80Fa20, Omp (omphacite) = Jd62Di38 and Carb = (MgCO3)25(FeCO3)25(CaCO3)25(Na2CO3)25. The peritectic reaction of olivine and jadeite-bearing melts with formation of garnet has been determined as a physico-chemical mechanism of the ultrabasic–basic evolution of the diamond-forming system. During the process, the CO2 component of the supercritical C-O-H-fluid can react with silicate components to form additional carbonates of Mg, Fe, Ca and Na. The solidus temperature of the diamond-forming system is lowered to 1000–1020 °C by the joint effect of the H2O fluid and its carbonate constituents. The experimentally recognized peritectic mechanism of the ultrabasic–basic evolution of the diamond-forming system explains the origin of associated paragenetic inclusions of peridotite and eclogite minerals in diamonds, as well as the xenoliths of diamond-bearing peridotites and eclogites of kimberlitic deposits of diamond. Diamond-forming systems have formed with the use of material from upper mantle native peridotite rocks. In this case, the capacity of the rocks to initiate the peritectic reaction of olivine was transmitted with silicate components to diamond-forming systems. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

11 pages, 3979 KiB  
Article
In Situ High-Pressure Raman Spectroscopic, Single-Crystal X-ray Diffraction, and FTIR Investigations of Rutile and TiO2II
by Xiaofeng Lu, Shuchang Gao, Peiyan Wu, Ziyu Zhang, Li Zhang, Xiaoguang Li and Xueqing Qin
Minerals 2023, 13(5), 703; https://doi.org/10.3390/min13050703 - 21 May 2023
Cited by 1 | Viewed by 1410
Abstract
In ultrahigh-pressure (UHP) metamorphic rocks, rutile is an important accessory mineral. Its high-pressure polymorph TiO2II can be a significant indicator of pressure in the diamond stability field. In the present study, in situ high-pressure Raman spectroscopic measurements of natural rutile in [...] Read more.
In ultrahigh-pressure (UHP) metamorphic rocks, rutile is an important accessory mineral. Its high-pressure polymorph TiO2II can be a significant indicator of pressure in the diamond stability field. In the present study, in situ high-pressure Raman spectroscopic measurements of natural rutile in UHP eclogite from the main hole of the Chinese Continental Scientific Drilling Project (CCSD) have been conducted up to ~16 GPa. Rutile and recovered TiO2II have also been analyzed via single-crystal X-ray diffraction and FTIR spectroscopy. The results indicate that (1) the phase transition from rutile to baddeleyite-type TiO2 terminates at about 16 GPa under compression at ambient temperature; (2) the metastable TiO2II in the exhumated UHP rocks formed during deep continental subduction can be characterized by a highly distorted octahedral site in the crystal structure. X-ray powder diffraction analyses (with Cu Kα radiation) at ambient conditions are sufficient for identifying the lamellae of TiO2II within natural rutile based on the angles (2θ) of two strong peaks at 25.5° and 31.5°; (3) rutile and recovered TiO2II in the continental slabs can contain certain amounts of water during deep subduction and exhumation. The estimated water contents of rutile in the present study range from 1590 to 1780 ppm of H2O by weight. In the crystal structure of TiO2II, hydrogen can be incorporated close to the long O-O edges (>2.5143 Å) of the TiO6 octahedra. Further studies on the pressure–temperature stability of hydroxyls in rutile and TiO2II may help to understand the transportation and release of water in subducted continental slabs. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

12 pages, 4174 KiB  
Article
High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral
by David Santamaría-Pérez, Raquel Chuliá-Jordán, Alberto Otero-de-la-Roza, Robert Oliva and Catalin Popescu
Minerals 2023, 13(5), 619; https://doi.org/10.3390/min13050619 - 28 Apr 2023
Cited by 1 | Viewed by 851
Abstract
We report on high-pressure angle-dispersive synchrotron X-ray diffraction data of a natural Zn3.78(2)Cu1.22(2)(CO3)2(OH)6 aurichalcite mineral up to 7.6 GPa and ab initio total energy calculations of the aurichalcite structure with three different Zn-Cu stoichiometries [...] Read more.
We report on high-pressure angle-dispersive synchrotron X-ray diffraction data of a natural Zn3.78(2)Cu1.22(2)(CO3)2(OH)6 aurichalcite mineral up to 7.6 GPa and ab initio total energy calculations of the aurichalcite structure with three different Zn-Cu stoichiometries (Zn:Cu ratios = 10:0, 8:2 and 6:4). A monoclinic-to-triclinic displacive second-order phase transition was found experimentally at 3 GPa. The experimental bulk modulus of the initial P21/m aurichalcite is B0 = 66(2) GPa, with a first-pressure derivative of B0′ = 9(2). A comparison with other basic copper and zinc carbonates shows that this B0 value is considerably larger than those of malachite and azurite. This relative incompressibility occurs despite the fact that aurichalcite features a layered structure due to the number of directed hydrogen bonds between carbonate groups and the cation-centered oxygen polyhedra forming complex sheets. The existence of different bond types and polyhedral compressibilities entails a certain anisotropic compression, with axial compressibilities κa0 = 3.79(5)·10−3 GPa−1, κb0 = 5.44(9)·10−3 GPa−1 and κc0 = 4.61(9)·10−3 GPa−1. Additional density-functional theory calculations on the C2/m hydrozincite-type structure with different Zn:Cu compositional ratios shows that the aurichalcite structure is energetically more stable than the hydrozincite one for compositions of Zn:Cu = 10:0, 8:2 and 6:4 at room pressure. The pure Zn aurichalcite phase, however, was predicted to transform into hydrozincite at 18 GPa, which suggests that the experimentally observed hydrozincite structure is a metastable phase. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

13 pages, 3305 KiB  
Article
High-Pressure Synthesis, Synchrotron Single-Crystal XRD and Raman Spectroscopy of Synthetic K–Ba Minerals of Magnetoplumbite, Crichtonite and Hollandite Group Indicatory of Mantle Metasomatism
by Valentina Butvina, Anna Spivak, Tatiana Setkova and Oleg Safonov
Minerals 2023, 13(2), 292; https://doi.org/10.3390/min13020292 - 19 Feb 2023
Cited by 1 | Viewed by 1644
Abstract
The paper summarizes the results of an experimental study of the formation of K–Ba high-Ti (and Cr) oxides synthesized in the chromite–rutile/ilmenite–K2CO3/BaCO3–H2O–CO2 systems at 1.8–5.0 GPa. Experiments confirm the conclusion that the formation of [...] Read more.
The paper summarizes the results of an experimental study of the formation of K–Ba high-Ti (and Cr) oxides synthesized in the chromite–rutile/ilmenite–K2CO3/BaCO3–H2O–CO2 systems at 1.8–5.0 GPa. Experiments confirm the conclusion that the formation of K–Ba high-Ti oxides characterizes the most advanced or repeated metasomatic stages in upper mantle peridotites, which lead first to the formation of simple Ti oxides and then to the formation of K–Ba high-Ti and Cr oxides. Relations between the oxides is a function of the activity of the K and Ba components in the fluid. The appearance of priderite corresponds to the highest activity of K in the mineral-forming media. Redledgeite is formed only in the Fe-poor chromite–rutile–H2O–CO2–BaCO3 system, and, in the system with ilmenite, minerals of the magnetoplumbite group preferably crystallize. A direct dependence of the Cr content in oxides on pressure is revealed. Raman spectra of K–Ba high-titanium oxides are presented. The structure of a potassium compound of a magnetoplumbite group with the chemical formula K0.90Ti5.16Cr2.94Fe2.54Mg0.87Al0.22Mn0.30O19 is studied by single-crystal X-ray diffraction using a synchrotron radiation. The obtained data can be used to specify the nomenclature of the magnetoplumbite mineral group. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

20 pages, 8597 KiB  
Article
The System KCl–CaCO3–MgCO3 at 3 GPa
by Anton Shatskiy, Ivan V. Podborodnikov, Anton V. Arefiev and Konstantin D. Litasov
Minerals 2023, 13(2), 248; https://doi.org/10.3390/min13020248 - 09 Feb 2023
Cited by 1 | Viewed by 1174
Abstract
Inclusions in mantle minerals and xenoliths from kimberlites worldwide derived from depths exceeding 100 km vary in composition from alkali-rich saline to carbonatitic. Despite the wide distribution of these melts and their geochemical importance as metasomatic agents that altered the mineralogy and geochemistry [...] Read more.
Inclusions in mantle minerals and xenoliths from kimberlites worldwide derived from depths exceeding 100 km vary in composition from alkali-rich saline to carbonatitic. Despite the wide distribution of these melts and their geochemical importance as metasomatic agents that altered the mineralogy and geochemistry of mantle rocks, the P-T range of stability of these melts remains largely undefined. Here we report new experimental data on phase relations in the system KCl–CaCO3–MgCO3 at 3 GPa obtained using a multianvil press. We found that the KCl–CaCO3 and KCl–MgCO3 binaries have the eutectic type of T-X diagrams. The KCl-calcite eutectic is situated at K2# 56 and 1000 °C, while the KCl-magnesite eutectic is located at K2# 79 and 1100 °C, where K2# = 2KCl/(2KCl + CaCO3 + MgCO3) × 100 mol%. Just below solidus, the KCl–CaCO3–MgCO3 system is divided into two partial ternaries: KCl + magnesite + dolomite and KCl + calcite–dolomite solid solutions. Both ternaries start to melt near 1000 °C. The minimum on the liquidus/solidus surface corresponds to the KCl + Ca0.73Mg0.27CO3 dolomite eutectic situated at K2#/Ca# 39/73, where Ca# = 100∙Ca/(Ca + Mg) × 100 mol%. At bulk Ca# ≤ 68, the melting is controlled by a ternary peritectic: KCl + dolomite = magnesite + liquid with K2#/Ca# 40/68. Based on our present and previous data, the KCl + dolomite melting reaction, expected to control solidus of KCl-bearing carbonated eclogite, passes through 1000 °C at 3 GPa and 1200 °C at 6 GPa and crossovers a 43-mW/m2 geotherm at a depth of 120 km and 37-mW/m2 geotherm at a depth of 190 km. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

15 pages, 3005 KiB  
Article
In-Situ Single Crystal XRD and Raman Spectra Investigation of (Mg, Fe, Mn)CO3 at Various Temperatures
by Lin Liang, Xinjian Bao, Wen Liang, Haipeng Song, Xiang Wu and Shan Qin
Minerals 2023, 13(2), 207; https://doi.org/10.3390/min13020207 - 31 Jan 2023
Viewed by 1764
Abstract
The in-situ X-ray diffraction (XRD) and Raman spectra of synthetic (Mg, Fe, Mn)CO3 single crystals for (Mg0.37Fe0.31Mn0.32)CO3, (Mg0.49Fe0.51)CO3, (Fe0.47Mn0.53)CO3, and (Mg0.50 [...] Read more.
The in-situ X-ray diffraction (XRD) and Raman spectra of synthetic (Mg, Fe, Mn)CO3 single crystals for (Mg0.37Fe0.31Mn0.32)CO3, (Mg0.49Fe0.51)CO3, (Fe0.47Mn0.53)CO3, and (Mg0.50Mn0.50)CO3 were investigated up to 871 K. Lattice parameters and the volumetric thermal expansion coefficients were achieved, demonstrating an inherent anisotropy of c/a near to 3.0. The Raman spectra of our intermediate components all exhibit a negative temperature dependence similar to that of the end members. The temperature dependence of the external modes T, L, anti-symmetric stretching mode ν3, and out-of-plane bending mode 2ν2 is generally more prominent than the in-plane bending mode ν4 and symmetric stretching mode ν1 except for siderite FeCO3. Combining thermal expansion coefficients αV with the relative changes in frequency δνi/δT of Raman spectra, the average thermodynamic Grüneisen parameters (γth) for (Mg0.37Fe0.31Mn0.32)CO3, (Fe0.47Mn0.53)CO3, (Mg0.50Mn0.50)CO3, MgCO3, and MnCO3 were obtained as 1.18, 1.36, 1.34, 1.13, and 1.53, respectively. The relationship between Fe2+ and Mn2+ contents and γth illustrates that the concentration of Fe2+ causes a negative effect while the concentration of Mn2+ causes a positive effect on γth. These results could provide a reference for the contribution of Fe2+ and Mn2+ on the structural and thermodynamic properties of (Mg, Fe, Mn)CO3 carbonates. Full article
(This article belongs to the Special Issue Crystal Structures and Phase Transitions of Minerals at Extreme Conditions)
►▼ Show Figures

Figure 1

Show export options expand_more Show export options expand_less
Select all
Export citation of selected articles as:
 
Displaying articles 1-8
Back to TopTop