Physics and Chemistry of Minerals最新文献

High pressure behavior of K-cymrite (KAlSi3O8·H2O) crystal structure K-cymrite (KAlSi3O8-H2O) 晶体结构的高压特性

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-30 DOI: 10.1007/s00269-024-01296-3

Alexandr V. Romanenko, Sergey V. Rashchenko, Andrey V. Korsakov, Alexander G. Sokol

{"title":"High pressure behavior of K-cymrite (KAlSi3O8·H2O) crystal structure","authors":"Alexandr V. Romanenko, Sergey V. Rashchenko, Andrey V. Korsakov, Alexander G. Sokol","doi":"10.1007/s00269-024-01296-3","DOIUrl":"https://doi.org/10.1007/s00269-024-01296-3","url":null,"abstract":"Compressibility and structural evolution of K-cymrite, hexagonal high-pressure KAlSi3O8·H2O, has been studied up to 18 GPa using synchrotron single crystal X-ray diffraction in Ne pressure medium. K-cymrite retains its original symmetry P6/mmm up to a pressure of 7.3 GPa. As the pressure increases from 7.3 to 8.5 GPa, the weak satellite reflections appear on diffraction patterns and remain up to maximum applied pressure of 18 GPa indicating incommensurate modulation. However, main reflections can be still indexed in hexagonal cell and structure successfully solved in initial P6/mmm group. After pressure release, K-cymrite reverts to initial non-modulated single-crystal state. The parameters of third-order Birch-Murnaghan equation of state for K-cymrite are V0 = 190.45(12) Å³, K0 = 56.5(7) GPa and K0’ = 3.2(12), with bulk modulus notably deviating from earlier result (K0 = 45(2) GPa and K0’ = 1.3(10)) obtained in vaseline media.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142227691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Raman spectroscopic study of liebenbergite and Ni2SiO4 spinel at high pressure and high temperature: nickel effects on the vibration properties of olivine and spinel structures 高压高温下的橄榄石和 Ni2SiO4 尖晶石的拉曼光谱研究：镍对橄榄石和尖晶石结构振动特性的影响

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-26 DOI: 10.1007/s00269-024-01295-4

Shuchang Gao, Jinpu Liu, Hang Cheng, Li Zhang, Yanhao Lin, Xiaoguang Li, Xueqing Qin

{"title":"Raman spectroscopic study of liebenbergite and Ni2SiO4 spinel at high pressure and high temperature: nickel effects on the vibration properties of olivine and spinel structures","authors":"Shuchang Gao, Jinpu Liu, Hang Cheng, Li Zhang, Yanhao Lin, Xiaoguang Li, Xueqing Qin","doi":"10.1007/s00269-024-01295-4","DOIUrl":"https://doi.org/10.1007/s00269-024-01295-4","url":null,"abstract":"High-pressure and high-temperature Raman spectroscopic measurements of synthetic liebenbergite and Ni2SiO4 spinel have been conducted up to 22 GPa and 700 ℃, respectively. Isothermal and isobaric mode Grüneisen parameters were calculated based on the observed Raman modes. The intrinsic anharmonicities of liebenbergite and Ni2SiO4 spinel were also evaluated. The changes of the asymmetric SiO4 stretching band of Ni2SiO4 spinel in frequency are irreversible under decompression, indicating a potential pressure-induced modification in the crystal structure at elevated pressures. The values of isothermal mode Grüneisen parameters show that the SiO4 internal vibrations in Ni-rich olivines are more sensitive to the variations of pressure. For spinel-group minerals, the SiO4 internal vibrations can be less sensitive to the pressure change due to nickel incorporation. In contrast, according to the values of isobaric mode Grüneisen parameters, nickel increases the sensitivity of these vibrations to the variations of temperature. In addition, nickel has distinctive effects on the intrinsic anharmonicities of different vibration modes in both olivine and spinel-group minerals, and therefore alter the thermodynamic properties of their crystal structures.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142225017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Temperature and pressure effects on the structural and vibrational properties of forsterite from density functional theory studies 从密度泛函理论研究看温度和压力对绿柱石结构和振动特性的影响

IF 1.2 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-08 DOI: 10.1007/s00269-024-01287-4

Sha Chen, Udo Becker

引用次数: 0

Characterization of the lattice preferred orientation of hcp iron transformed from the single-crystal bcc phase in situ at high pressures up to 80 GPa 在高达 80 GPa 的高压下，由单晶 bcc 相原位转变而来的 hcp 铁的晶格优选取向表征

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-05 DOI: 10.1007/s00269-024-01293-6

Yohan Park, Tatsuya Wakamatsu, Shintaro Azuma, Yu Nishihara, Kenji Ohta

{"title":"Characterization of the lattice preferred orientation of hcp iron transformed from the single-crystal bcc phase in situ at high pressures up to 80 GPa","authors":"Yohan Park, Tatsuya Wakamatsu, Shintaro Azuma, Yu Nishihara, Kenji Ohta","doi":"10.1007/s00269-024-01293-6","DOIUrl":"https://doi.org/10.1007/s00269-024-01293-6","url":null,"abstract":"Studying the anisotropic physical properties of hexagonal closed-packed (hcp) iron is essential for understanding the properties of the Earth’s inner core related to the preferred orientation of the inner core materials suggested by seismic observations. Investigating the anisotropic physical properties of hcp iron requires (1) the synthesis of hcp iron samples that exhibit several distinctive types of strong lattice preferred orientation (LPO) and (2) the quantitative LPO analysis of the samples. Here, we report the distinctive LPO of hcp iron produced from single-crystal body-centered cubic (bcc) iron compressed along three different crystallographic orientations ([100], [110], and [111]) in a diamond anvil cell based on synchrotron multiangle X-ray diffraction measurements up to 80 GPa and 300 K. The orientation relationships between hcp iron and bcc iron are consistent with the Burgers orientation relationship with variant selection. We show that the present method is a way to synthesize hcp iron with strong and characteristic LPO, which is beneficial for experimentally evaluating the anisotropic physical properties of hcp iron.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141945071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The thermal expansion of Ti-substituted CaAl12O19 钛取代 CaAl12O19 的热膨胀率

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-05 DOI: 10.1007/s00269-024-01286-5

Paul F. Schofield, Andrew J. Berry, Patricia M. Doyle, Kevin S. Knight

{"title":"The thermal expansion of Ti-substituted CaAl12O19","authors":"Paul F. Schofield, Andrew J. Berry, Patricia M. Doyle, Kevin S. Knight","doi":"10.1007/s00269-024-01286-5","DOIUrl":"https://doi.org/10.1007/s00269-024-01286-5","url":null,"abstract":"CaAl12O19, which can incorporate Ti as both Ti3+ and Ti4+ (charge coupled substitution with Mg2+), is one of the first minerals to condense from a gas of solar composition and is used as a ceramic. It is variously known as hibonite, calcium hexaluminate (CaO.6Al2O3), and CA6. The lattice parameters and unit cell volumes of Ti-substituted hibonite (P63/mmc) with the formulae CaAl11.8Ti3+0.2O19 and CaAl9.8Ti3+0.54Mg0.83Ti4+0.83O19 were determined as a function of temperature from ~ 10 to 275 K by neutron powder diffraction. The thermal expansion is highly anisotropic with the expansion in c a factor of ~ 5 greater than that in a. The change in a is approximately equal for the two compounds whereas the change in c is almost 50% larger for CaAl11.8Ti3+0.2O19. CaAl11.8Ti3+0.2O19 also exhibits negative thermal expansion between 10 and 70 K. The change in unit cell volume with temperature of both compositions is well described by a two term Einstein expression. The large change in c is consistent with substitution of Ti onto the M2 and M4 sites of the R-block structural unit.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141944977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Influence of grain size and plastic deformation on the phase transformation of enstatite: insights from microstructures produced during the back-transformation of protoenstatite to clinoenstatite 晶粒尺寸和塑性变形对恩氏铁锂辉石相变的影响：从原恩氏铁锂辉石向克氏铁锂辉石逆变过程中产生的微观结构中获得的启示

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-08-05 DOI: 10.1007/s00269-024-01294-5

Miki Tasaka, Maya Iwago

{"title":"Influence of grain size and plastic deformation on the phase transformation of enstatite: insights from microstructures produced during the back-transformation of protoenstatite to clinoenstatite","authors":"Miki Tasaka, Maya Iwago","doi":"10.1007/s00269-024-01294-5","DOIUrl":"https://doi.org/10.1007/s00269-024-01294-5","url":null,"abstract":"Enstatite (Mg2Si2O6) is a member of the pyroxene group and an important mineral in the lower crust and upper mantle. Enstatite has three phases at ambient pressure: protoenstatite, orthoenstatite, and clinoenstatite. Previously, the polymorphic transformation of pyroxene has been characterized using bulk techniques such as X-ray diffraction of powders. Given that rocks are crystal aggregates, it is important to use aggregates to understand phase transformations. We therefore conducted grain growth and deformation experiments using aggregates of enstatite to investigate phase transformations. Grain growth experiments were conducted at temperatures (T) of 1345 and 1360 °C under a vacuum of ≈ 10 Pa using an alumina tube furnace. Deformation experiments were conducted at T = 1310 °C and room pressure, a strain rate of ≈ 10–4 s–1, and a resulting stress of ≈ 150 MPa. The samples were analyzed using a scanning electron microscope, electron backscatter diffraction (EBSD), and X-ray diffraction. The results indicate that the grain size affects the transformation from protoenstatite to clinoenstatite, whereas deformation by diffusion creep does not. The EBSD analyses show that the volume fraction of clinoenstatite increases with increasing grain size. The samples underwent diffusion creep during the deformation experiments, and there were no distinct microstructural differences between deformed and undeformed samples. The EBSD analyses show that the transformed clinoenstatite has a characteristic twin structure with a misorientation angle of 180° and a rotation axis of [100] or [001]. Grain sizes become smaller during the phase transformation, even if the mechanism can be characterized as a second-order transformation.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141945026","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Crystallographic mechanism of the elastic behaviour of synthetic bütschliite K2Ca(CO3)2 on compression to 20 GPa 压缩至 20 GPa 时合成菱镁矿 K2Ca(CO3)2 弹性行为的晶体学机制

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-07-28 DOI: 10.1007/s00269-024-01291-8

Anna Yu. Likhacheva, Alexandr V. Romanenko, Sergey V. Rashchenko, Sofija Miloš, Paolo Lotti, Ronald Miletich, Anton Shatskiy

{"title":"Crystallographic mechanism of the elastic behaviour of synthetic bütschliite K2Ca(CO3)2 on compression to 20 GPa","authors":"Anna Yu. Likhacheva, Alexandr V. Romanenko, Sergey V. Rashchenko, Sofija Miloš, Paolo Lotti, Ronald Miletich, Anton Shatskiy","doi":"10.1007/s00269-024-01291-8","DOIUrl":"https://doi.org/10.1007/s00269-024-01291-8","url":null,"abstract":"Bütschliite, K2Ca(CO3)2, occurring as inclusions in mantle minerals, is regarded as one of the key phases to understand phase relationships of dense potassium carbonates and thus to evaluate their potential role within the Earth’s deep carbon cycle. Accordingly, the high-pressure behavior of synthetic bütschliite has been investigated by in-situ single-crystal X-ray diffraction under isothermal compression up to 20 GPa at T = 298 K. The compression mechanism before and after the trigonal-to-monoclinic (R-3m to C2/m) phase transition at ∼6 GPa, found previously, is characterized in terms of the evolution of the cation polyhedra and carbonate groups. On this basis, the modulation of the axial compression is interpreted, and the contribution of the cation polyhedra into the bulk compression is estimated. The refined compressibility of the monoclinic phase (K0 = 44(2) GPa) fits to the trend of the carbonate bulk modulus versus average non-carbon cation radius. The analysis of the obtained and literature structural data suggests the distortion of a large cation polyhedron to be an effective tool to strengthen the carbonate structure at high pressure. On the other hand, the observed symmetrization of the cation polyhedra in trigonal bütschliite is apparently a crucial factor of its stabilization at high pressure upon the temperature rise observed previously. The structural crystallography provided in this study supports the enhanced stability of trigonal bütschliite at high P, T conditions and its significance of being considered as a constituent of the inclusions in deep minerals.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141783930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

High-pressure structural behavior of α-K2Ca3(CO3)4 up to 20 GPa 高达 20 GPa 的 α-K2Ca3(CO3)4 高压结构行为

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-07-28 DOI: 10.1007/s00269-024-01292-7

Mark A. Ignatov, Sergey V. Rashchenko, Anna Yu Likhacheva, Alexandr V. Romanenko, Anton F. Shatskiy, Anton V. Arefiev, Konstantin D. Litasov

引用次数: 0

New insight into the phase transition and kinetics of the dehydroxylation of bulk-to-nano chrysotile 大块温石棉到纳米温石棉脱羟基的相变和动力学新见解

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-07-23 DOI: 10.1007/s00269-024-01288-3

Jifa Long, Wentao Liu, Ningbo Zhang, Hanting Zhang, Qi Xiao, Suping Huang

{"title":"New insight into the phase transition and kinetics of the dehydroxylation of bulk-to-nano chrysotile","authors":"Jifa Long, Wentao Liu, Ningbo Zhang, Hanting Zhang, Qi Xiao, Suping Huang","doi":"10.1007/s00269-024-01288-3","DOIUrl":"https://doi.org/10.1007/s00269-024-01288-3","url":null,"abstract":"In this work, the self-made chrysotile fiber membrane (CFM) and raw chrysotile fiber (CF) were calcined in air from 500 to 800 °C. The XRD pattern of CFM showed that the diffraction peak of chrysotile weakened when the temperature was from room temperature to 550 °C, and CFM had a shorter amorphous interval at 600–700 °C. While, no amorphous phase appeared in CF during calcination, and forsterite begined to appear at 650 °C. SEM images showed that CFM could still maintain the integrity of the network structure at 600–800 °C, while CF gradually melted into coarse fiber bundles with the increase of calcination temperature, and sintering traces appeared. After that,the kinetics of the dehydroxylation of chrysotile in CFM and CF was studied. The dehydroxylation of CFM is a one-step reaction, the calculated activation energy is 243.33 kJ mol−1, which conforms to the two-dimensional ‘Valensi’ model with mechanism function G(α) = (1−α)ln(1−α) + α. The dehydroxylation of CF is divided into two stages, the activation energy are 222.87 kJ mol−1 and 316.04 kJ mol−1. The first stage of CF conforms to two-dimensional ‘Jander’ model (n = 2) with mechanism function G(α) = [1−(1−α)1/2]2, the second stage of CF conforms to the random nucleation and subsequent growth ‘Avrami-Erofeev’ model (n = 3/2) with mechanism function G(α) = [−ln(1−α)]2/3.","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":null,"pages":null},"PeriodicalIF":1.4,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141783927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical infrared signature of OH defects in Fe3+, Cr3+ and Al3+-doped enstatite 掺杂 Fe3+、Cr3+ 和 Al3+ 的芒硝中 OH 缺陷的理论红外特征

IF 1.4 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2024-07-20 DOI: 10.1007/s00269-024-01289-2

Etienne Balan, Jannick Ingrin

引用次数: 0