Physics and Chemistry of Minerals最新文献

{"title":"Insight on the global water distribution in opal considering its bi-component nature","authors":"Simon Gouzy,&nbsp;Boris Chauviré,&nbsp;Benjamin Rondeau,&nbsp;Vassilissa Vinogradoff,&nbsp;John Carter","doi":"10.1007/s00269-025-01329-5","DOIUrl":"10.1007/s00269-025-01329-5","url":null,"abstract":"<div><p>To date, studies on water distribution in opals (SiO₂.nH₂O, amorphous and porous) have considered opal exclusively in terms of silica structures (nanograins and aggregates such as spheres) without considering the, yet intrinsic, silica gel component. Consequently, its role in controlling both the water content and the distribution of water species (H₂O, SiOH) is still unresolved. In this study, Raman spectroscopy was applied to four calibrated synthetic opals representing varying ratios of silica structure and silica gel. The aim is to assess the nature of water in opal, especially regarding its bi-component nature. Our results show that an increase in the silica gel content in synthetic opals affects the content, type and proportion of water species by: (1) increasing the contribution of the bonded molecular water preferentially located in the porosity (H₂O type B) and the silanol groups present in the total amorphous structure (SiOH type A); (2) decreasing of the contribution of free molecular water (H₂O type A) and silanols groups adsorbed at the silica structure surface (SiOH type B). Moreover, the synthetic sample composed exclusively of silica structures (Op 1:0), which represent the theoretical model use to date, shows a systematic different behaviour to the other sample containing silica gel. All this exhibit that the silica gel phase plays an important role in the repartition of water in natural opals.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 4","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210243","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}

{"title":"Optical bandgap dependence on crystallite size of SnO2 synthesized by stannic chloride from chlorination tin ingot","authors":"Tri Arini,&nbsp;Latifa Hanum Lalasari,&nbsp;Yudi Nugraha Thaha,&nbsp;Januar Irawan,&nbsp;F. Firdiyono,&nbsp;Iwan Setiawan,&nbsp;Eko Sulistiyono,&nbsp;Agus Budi Prasetyo,&nbsp;Ariyo Suharyanto,&nbsp;Lia Andriyah,&nbsp;Eka Nurhidayah,&nbsp;Akhmad Herman Yuwono","doi":"10.1007/s00269-025-01328-6","DOIUrl":"10.1007/s00269-025-01328-6","url":null,"abstract":"<div><p>We report the dependence of the optical band gap on the crystallite size of SnO₂, co-occurring with impurities of Al, Cl, Ca, Fe, Mg, Na, and Si. SnO₂ nanoparticles with rod-like and polyhedral nanostructures were produced by precipitation methods using SnCl₄ as a precursor. The SnCl₄ precursor was synthesized through the chlorination of a pyrometallurgical product derived from tin ingots. The as-synthesized SnO₂ were characterized using X-ray diffraction (XRD), X-ray fluorescence (XRF), transmission electron microscopy with energy-dispersive spectroscopy (TEM-EDS), X-ray photoelectron spectroscopy (XPS), and UV–Vis’s spectroscopy. The rod-like and polyhedral SnO₂ particles exhibited a tetragonal crystal structure (space group P4₂/mnm). The band gap estimated from the UV–Vis spectra ranged from 3.58 to 3.70 eV. Quantum confinement effects were observed in the increase of the optical band gap as the crystallite size of SnO₂ decreased. A blue shift in the optical absorption was observed in SnO₂ nanoparticles with elevated chloride concentration.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144909617","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}

{"title":"Alexandra Navrotsky","authors":"Nancy L. Ross","doi":"10.1007/s00269-025-01327-7","DOIUrl":"10.1007/s00269-025-01327-7","url":null,"abstract":"","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162617","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}

{"title":"Nonlinear variation of structural, thermodynamic and elastic properties of Mg2SiO4-ringwoodite caused by cation disorder","authors":"Xuwei Zhao,&nbsp;Joshua M. R. Muir,&nbsp;Zhigang Zhang,&nbsp;Yining Zhang,&nbsp;Xi Liu","doi":"10.1007/s00269-025-01325-9","DOIUrl":"10.1007/s00269-025-01325-9","url":null,"abstract":"<div><p>Understanding the impacts of cation disorder (characterized by the inversion parameter <i>x,</i> the Mg fraction on the tetrahedral site) on the structural, and physical–chemical properties of Mg₂SiO₄-ringwoodite (Rw) is very important. In this study, first-principles method combined with quasi-harmonic approximation theory has been used to obtain the microstructures, thermodynamic properties, and elastic properties of Rw at six different cation disorder states, from normal spinel configuration (<i>x</i> = 0) to inverse spinel configuration (<i>x</i> = 1). By the cation configurations with the lowest enthalpies for the investigated <i>x</i> values, we have established quantitative relations between <i>x</i> and physical–chemical properties like zero-pressure volume (<i>V</i>₀), isothermal bulk modulus (<i>K</i>_<i>T</i>), the first pressure derivative of <i>K</i>_<i>T</i> (<span>({{K}}_{{T}}^{prime})</span>), the temperature derivative of <i>K</i>_<i>T</i> (∂<i>K</i>_<i>T</i>/∂<i>T</i>), thermal expansion coefficients (<i>α</i>), isobaric heat capacity (<i>C</i>_<i>P</i>), vibrational entropy (<i>S</i>), adiabatic bulk modulus (<i>K</i>_<i>S</i>), shear modulus(<i>G</i>), compressional wave velocity (<i>V</i>_<i>P</i>), and shear wave velocity (<i>V</i>_<i>S</i>). Our results show that all investigated physical–chemical properties of Rw are likely quadratically correlated to <i>x</i>, with the extremums of the quadratic functions presumably corresponding to the state of full cation disorder (<i>x</i> = 2/3). Therefore, any simplified linear extrapolation or interpolation of the properties of Rw with different cation disorders should be viewed with great caution.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165833","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}

{"title":"Ba2+ substitution in heulandite-clinoptilolite series from Hončova Hůrka hill (Czechia): the emergence of a new mineral species","authors":"Ondřej Pour,&nbsp;Dalibor Matýsek,&nbsp;Jaroslav Kapusta,&nbsp;Jakub Jirásek","doi":"10.1007/s00269-025-01326-8","DOIUrl":"10.1007/s00269-025-01326-8","url":null,"abstract":"<div><p>Hončova hůrka Hill represents an Early Cretaceous strongly altered picritic effusive body. In the low-temperature hydrothermal mineralisation of both amygdales and rock fissures, a calcite-dominated mineral association including zeolites (harmotome, ferrierite-Mg, and heulandite-clinoptilolite series), chlorite, baryte, various clay minerals, quartz, and some accessories are known. Up to this moment, the only published analysis of the heulandite-clinoptilolite series mineral was a single wet analysis proving the existence of a Ca-dominant extra-framework cation. Two hundred twenty-three new energy-dispersive (EDS) microanalyses of 11 samples revealed a much more complicated picture. Two hundred spots are classified as clinoptilolites, with a continuous transition from more common barium-rich clinoptilolite-Ca to the Ba-dominant member (4 spot analyses). Twenty-three analyses correspond to the heulandite subgroup, with a continuous transition from barium-rich heulandite-Ca to the Ba-dominant member (5 spot analyses). The electron microscope backscattered electron images revealed the lamellar structure of the crystal aggregates of the heulandite-clinoptilolite series minerals and strong zoning, with the cores richest in barium and the outer parts enriched in calcium. We believe that originally the mineral aggregates were dominantly barian, while at the end of the hydrothermal solution precipitation resulting in carbonate crystallisation (calcite, minor dolomite), there was an extra-framework cation exchange of Ba²⁺ for Ca²⁺. The excess of barium at that moment stimulated baryte deposition in minute cracks of the heulandite-clinoptilolite series minerals. Four microanalyses revealing the presence of yet undescribed and unapproved clinoptilolite-Ba are not sufficient for a new phase description at this time but clearly indicate its presence in nature.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-025-01326-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145165871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Equation of state of FeTiO3 and MgTiO3 by in-situ synchrotron X-ray diffraction at high pressures","authors":"Kai Wang,&nbsp;Jingui Xu,&nbsp;Shanrong Zhang,&nbsp;Qifa Zhong,&nbsp;Wei Zhao,&nbsp;Dawei Fan","doi":"10.1007/s00269-025-01324-w","DOIUrl":"10.1007/s00269-025-01324-w","url":null,"abstract":"<div><p>The equation of state of ilmenite (FeTiO₃) and geikielite (MgTiO₃) have been investigated using in situ synchrotron X-ray diffraction at high pressures up to ~ 21.8 GPa and ~ 23.0 GPa, respectively. No phase transitions were observed within the experimental pressure ranges for both samples. The pressure-volume data were fitted using the third-order Birch-Murnaghan equation of state (EoS), yielding the following results: for FeTiO₃, the zero-pressure unit-cell volume <i>V</i>₀ = 312.2(1) ų, the zero-pressure bulk modulus <i>K</i>₀ = 165(4) GPa, and its pressure derivative <i>K</i>′₀ = 6.6(6); for MgTiO₃, <i>V</i>₀ = 304.17(8) ų, <i>K</i>₀ = 157(3) GPa, and <i>K</i>′₀ = 7.3(4). Additionally, the axial compressional behavior of FeTiO₃ and MgTiO₃ were also fitted with a linearized third-order Birch-Murnaghan EoS. The axial compressibility coefficients for FeTiO₃ along the <i>a-</i> and <i>c-</i>axes are <i>β</i>_<i>a</i> = 1.43(4) × 10^− 3 GPa^-1 and <i>β</i>_<i>c</i> = 3.17(11) × 10^− 3 GPa^-1, respectively, with an anisotropic ratio of <i>β</i>_<i>a</i>: <i>β</i>_<i>c</i> = 0.45: 1.00, while <i>β</i>_<i>a</i> = 1.76 (7) × 10^− 3 GPa^-1 and <i>β</i>_<i>c</i> = 2.61(7) × 10^− 3 GPa^-1 with an anisotropic ratio of <i>β</i>_<i>a</i>: <i>β</i>_<i>c</i> = 0.67: 1.00 for MgTiO₃. Both FeTiO₃ and MgTiO₃ exhibit the axial compression anisotropy, of which FeTiO₃ shows stronger axial compressibility anisotropy than MgTiO₃. Moreover, the potential influencing factors (e.g., cation radius, crystal structure, and chemical bond strength) on the bulk moduli and the anisotropic linear compressibilities of FeTiO₃ and MgTiO₃ were further discussed.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145162569","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}

{"title":"Thermal annealing kinetics of induced fission tracks in ZAD zircon from the Serra Geral Volcanic Complex, Brazil","authors":"Antonio Said Webbe Sales,&nbsp;Airton Natanael Coelho Dias,&nbsp;Sandro Guedes,&nbsp;Marcela Guinther Medeiros,&nbsp;Vinicius de Queirós Pereira","doi":"10.1007/s00269-025-01323-x","DOIUrl":"10.1007/s00269-025-01323-x","url":null,"abstract":"<div>\u0000 \u0000 <p>This study investigates the thermal annealing kinetics of induced fission tracks in ZAD zircon from the Serra Geral Volcanic Complex, Brazil, and compares results with previously studied ZPC zircon. Both samples underwent identical pre-annealing treatment (1100 °C for 1 h) to remove fossil fission tracks before neutron irradiation and heating experiments at temperatures between 500 and 800 °C for durations of 1–100 h. Comprehensive statistical analysis, including Kolmogorov–Smirnov tests and effect size calculations, confirmed that observed differences between samples reflect genuine material properties rather than measurement bias. ZAD exhibited significantly higher annealing rates and lower activation energy (62 ± 14 kcal/mol) compared to ZPC (80 ± 20 kcal/mol), despite both samples undergoing identical laboratory procedures. This differential behavior is attributed to ZAD’s 20% higher accumulated α-recoil damage (3.34 × 10¹⁶ vs. 2.67 × 10¹⁶ decays/g), which persists as residual damage even after pre-annealing treatment. Calculations of displacements per atom (dpa) further quantified this difference (1.07 × 10⁻³ for ZAD vs. 8.5 × ⁻⁴ for ZPC). The study demonstrates how radiation damage accumulated over different timescales (134 Ma for ZAD vs. 80 Ma for ZPC) creates distinct microstructural defect patterns that significantly influence fission track annealing kinetics, with important implications for zircon thermochronology interpretations and geological thermal history reconstruction.</p>\u0000 </div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 3","pages":""},"PeriodicalIF":1.6,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145161369","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}

{"title":"γ irradiation effects on natural GMZ bentonite","authors":"Wei Liu,&nbsp;Dong Liang,&nbsp;Zhongtian Yang,&nbsp;Chao Gao,&nbsp;Jingli Xie","doi":"10.1007/s00269-025-01322-y","DOIUrl":"10.1007/s00269-025-01322-y","url":null,"abstract":"<div><p>To investigate the impact of γ irradiation on bentonite, the natural bentonite from GaoMiaoZi (GMZ), located in Inner Mongolia, China, and foreseen as an engineering barrier in geological disposal facilities, was selected as the subject of this study. The sample underwent exposure to a Co-60 source followed by comprehensive analysis utilizing various techniques, including mass spectrometer, swelling pressure testing system, X-ray diffraction, simultaneous thermal analysis, infrared spectrometer, and Mössbauer spectroscopy. The findings indicated that γ irradiation detrimentally altered the microstructure and reduced the structure trivalent iron of GMZ bentonite, leading to a decrease in swelling pressure, with a noticeable cumulative dose effect. Additionally, a negative exponential correlation was observed between the maximum swelling pressure and absorbed dose. The effect of γ irradiation significantly influenced the physical and chemical properties of GMZ bentonite.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 2","pages":""},"PeriodicalIF":1.2,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144125864","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}

{"title":"In situ observation of shock-induced structural evolution of calcite","authors":"Yuhei Umeda,&nbsp;Norimasa Ozaki,&nbsp;Toshimori Sekine,&nbsp;Yoichiro Hironaka,&nbsp;Yuichi Inubushi,&nbsp;Kento Katagiri,&nbsp;Ryosuke Kodama,&nbsp;Kohei Miyanishi,&nbsp;Hirotaka Nakamura,&nbsp;Tomoko Sato,&nbsp;Yusuke Seto,&nbsp;Keiichi Sueda,&nbsp;Tadashi Togashi,&nbsp;Naotaka Tomioka,&nbsp;Toshinori Yabuuchi,&nbsp;Makina Yabashi,&nbsp;Takuo Okuchi","doi":"10.1007/s00269-025-01320-0","DOIUrl":"10.1007/s00269-025-01320-0","url":null,"abstract":"<div><p>In this study, we aimed to evaluate the shock-induced behavior of calcite (CaCO₃), a potential source of CO and/or CO₂. To this end, we experimentally investigated the time evolution of calcite during shock compression and decompression processes at shock pressures up to 234 ± 19 GPa using an ultrafast time-resolved X-ray diffraction (XRD) coupled with a laser-driven shock compression system. The XRD analysis of shocked calcite showed that the amorphization occurred in the shock compression stage at pressures above 86 ± 7 GPa, and that the decomposition reaction, i.e., CaCO₃ = CaO + CO₂, was not observed in the decompression stage within the nanosecond timescale. This observation indicated that in addition to pressure and temperature, the shock duration (reaction time) is also a critical factor affecting shock-induced structural changes, such as amorphization and decomposition. Furthermore, the nanosecond laser shock employed in this study may be applied to enhance understanding regarding the impact phenomena of micrometer to submillimeter sized projectiles. The present results suggest that the shock-induced decomposition of calcite does not occur during micrometeorite impacts.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 2","pages":""},"PeriodicalIF":1.2,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-025-01320-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental observations of CaSiO3-CaTiO3 perovskites: implications for Ca-rich inclusions observed in sub-lithospheric diamonds","authors":"A. R. Thomson,&nbsp;W. A. Crichton,&nbsp;N. C. Siersch,&nbsp;I. S. Ezad,&nbsp;D. P. Dobson,&nbsp;J. P. Brodholt","doi":"10.1007/s00269-025-01321-z","DOIUrl":"10.1007/s00269-025-01321-z","url":null,"abstract":"<div><p>Calcium perovskite is a major component of deep mantle phase assemblages and has been frequently identified, in retrograde form, as polyphase mineral inclusions within sub-lithospheric diamonds. Here experimental observations of synthetic samples demonstrate various properties of calcium perovskite minerals which have relevance for the interpretation of diamond-hosted inclusions. Ambient pressure diffraction and spectroscopy confirm the linear dependence of crystallographic unit cell volume and Raman peak shifts across the entire CaSiO₃-CaTiO₃ binary join. These systematics will allow verification of perovskite structure and constraint of inclusion composition, without destructive analyses, in future studies. Additionally, high pressure observations confirm that calcium perovskite minerals ≳ 80 mol.% CaSiO₃ undergo spontaneous amorphization during decompression at room temperature, meaning they are unrecoverable. Finally, the presence of water appears to expand the calcium perovskite stability field to lower pressure conditions, implying at least some appreciable water-solubility in these minerals.</p></div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"52 2","pages":""},"PeriodicalIF":1.2,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-025-01321-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904756","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}