Physics and Chemistry of Minerals最新文献_第2页

Thermodynamic properties of synthetic kesterite Cu2ZnSnS4 合成kesterite Cu2ZnSnS4的热力学性质

IF 1.5 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-07-06 DOI: 10.1007/s00269-026-01360-0

D. A. Chareev, A. V. Tyurin, N. A. Polotnyanko, N. S. Uporova

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Linking interfacial energy estimates based on dihedral angles to grain size constraints in natural and experimental peridotites 天然和实验橄榄岩中基于二面角的界面能估计与晶粒尺寸约束的联系

IF 1.5 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-06-26 DOI: 10.1007/s00269-026-01357-9

Miki Tasaka, Haruya Aida, Yuto Sato

{"title":"Linking interfacial energy estimates based on dihedral angles to grain size constraints in natural and experimental peridotites","authors":"Miki Tasaka, Haruya Aida, Yuto Sato","doi":"10.1007/s00269-026-01357-9","DOIUrl":"10.1007/s00269-026-01357-9","url":null,"abstract":"<div>Grain size controls diffusion, deformation, and the textural evolution of mantle rocks. Because grain growth is driven by a reduction in grain boundary energy, the relationship between grain boundary energy and grain size provides an important constraint on microstructural evolution. To better quantify this relationship, we analyzed olivine–olivine–pyroxene (ol–ol–px) dihedral angles in peridotite xenoliths from Ichinomegata (Japan) and San Carlos (USA), as well as in experimentally sintered olivine–pyroxene aggregates. In melt-free Ichinomegata peridotites, ol–ol–opx angles (≈100°) fit single normal distributions. In contrast, melt-bearing Ichinomegata peridotites yield lower-angle ol–ol–cpx triple junction populations (≈80°), which we interpret as relict ol–ol–melt triple junctions, although the distributions of dihedral angles might also reflect the combined effects of textural evolution and system conditions. The San Carlos peridotite and experimental samples yield uniform distributions with median dihedral angles of ≈100°. Moreover, the relationships between olivine grain size, secondary-phase grain size, and secondary-phase volume fraction follow the Zener equation in both natural and experimental peridotites across four orders of magnitude in olivine grain size. These findings suggest that microstructural processes, including Zener pinning, melt–rock interaction, and dynamic recrystallization, contribute to the grain-scale evolution of peridotites across both laboratory and geological scales.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2026-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-026-01357-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148323891","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}

引用次数: 0

Bulk modulus and electron density distribution of high-pressure polymorphs of Fe-Ti–O minerals Fe-Ti-O矿物高压多晶体的体积模量和电子密度分布

IF 1.5 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-06-23 DOI: 10.1007/s00269-026-01350-2

Takamitsu Yamanaka, Takanori Hattori

{"title":"Bulk modulus and electron density distribution of high-pressure polymorphs of Fe-Ti–O minerals","authors":"Takamitsu Yamanaka, Takanori Hattori","doi":"10.1007/s00269-026-01350-2","DOIUrl":"10.1007/s00269-026-01350-2","url":null,"abstract":"<div>The iron-bearing FexTiyOz minerals are important terrestrial materials for plate tectonics studies and paleo-magnetism in geophysics. The bulk modulus of the FexTiyOz minerals, such as Fe3O4 (magnetite), Fe2TiO4. (ulvöspinel), FeTiO3 (ilmenite), Fe2TiO5 (pseudobrookite) are related to the compressions of cation sites and vacant site. Cation site partly occupied by Ti atom shows a smaller Ko than that of only Fe atom. The compressibility increases with increasing Ti content in FexTiyOz. The vacant sites in the unit cell are much larger volumes than cation sites in these four structures. The bulk moduli of these samples are very similar to those of their vacant sites. The compressibility of the cation site is much larger than those of the vacant sites. The cation distribution in the solid solutions have been carried out by neutron diffraction and X-ray diffraction studies. The Fe/Ti distribution has been examined as a function of pressure. The cation sites and vacant sites show different compressibility with increasing pressure. The cation sites of these minerals at high-pressure conditions were investigated to understand their strong electronic correlations. The crystal internal potential change under high pressure is in an equilibrium state of the external pressure by virial theorem. The structure changes such as high-low electron spin transition, Jahn–Teller effect and d-p-π hybridization in the Fe–O bonds are elucidated by present high-pressure experiments. The d-p-π hybridization in the octahedral cation site was discussed by molecular orbital calculation and it brings the deformation of the octahedral cation site. The deformation triggers the structure changes in the high-pressure polymorphs.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2026-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148292383","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

Redetermination and reinterpretation of the crystal structure of synthetic Na2Mg(SO4)2 合成Na2Mg(SO4)2晶体结构的再测定和重新解释

IF 1.5 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-06-23 DOI: 10.1007/s00269-026-01358-8

Peter Grouleff Jensen, Tonči Balić-Žunić, Emil Makovicky

{"title":"Redetermination and reinterpretation of the crystal structure of synthetic Na2Mg(SO4)2","authors":"Peter Grouleff Jensen, Tonči Balić-Žunić, Emil Makovicky","doi":"10.1007/s00269-026-01358-8","DOIUrl":"10.1007/s00269-026-01358-8","url":null,"abstract":"<div>The crystal structure of Na2Mg(SO4)2 has been redetermined from X-ray diffraction on a larger, higher-quality synthetic single crystal than that used for the original determination. This allowed the correction of important details of the crystal structure. The substitution of equal amounts of Mg and Na has been shown to occur at sites different from those previously believed to be involved. It explains the large, unusually anisotropic atomic displacement parameters (ADPs) and the splitting of many O sites as adjustments to the significantly different sizes of Mg and Na atoms that enter the same coordination environment. An orientation disorder at one S site has been identified and explained; likewise, splitting of a nearby Na site and its exceptionally large, anisotropic ADPs are due to movement within a large structural cavity within the [100] structural channel. The complex crystal structure contains [MgO6] octahedral coordinations, of which one has partial Mg/Na occupancy, with six [SO4] tetrahedral coordinations attached in a pinwheel arrangement. An exception is one Mg octahedron that shares an edge with an S tetrahedron. The Mg-S coordination units are assembled in three-layer (101) slabs, interconnected by additional Mg in octahedral coordination. Na atoms are located in voids within this framework, with coordination numbers ranging from 5 to 9.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 3","pages":""},"PeriodicalIF":1.5,"publicationDate":"2026-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-026-01358-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148323042","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}

引用次数: 0

Metastable orthopyroxene in cold slabs revealed by high pressure and temperature raman study 高压和高温拉曼研究揭示了冷板中亚稳态正辉石

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-06-01 DOI: 10.1007/s00269-026-01353-z

Jing Li, Luo Li, Xinyue Zhang, Yingxin Yu, Zhu Mao, Ningyu Sun, Denglei Wang

{"title":"Metastable orthopyroxene in cold slabs revealed by high pressure and temperature raman study","authors":"Jing Li, Luo Li, Xinyue Zhang, Yingxin Yu, Zhu Mao, Ningyu Sun, Denglei Wang","doi":"10.1007/s00269-026-01353-z","DOIUrl":"10.1007/s00269-026-01353-z","url":null,"abstract":"<div>Orthopyroxene is a major mineral in the Earth’s upper mantle. In this study, we conducted in-situ high pressure and temperature Raman spectroscopy measurements on single-crystal orthopyroxenes with varying (Fe, Al) concentrations using externally heated diamond anvil cells. The α-β transition was identified by systematic changes in characteristic Raman modes, and transition boundaries were determined in the range of 400–700 K up to ~ 20 GPa. All samples exhibit the same structural transition pathway, while the transition pressure and Clapeyron slope vary systematically with composition. Our results demonstrate that increasing Fe content from 3 to 9 mol% raises the Clapeyron slope from 0.6(3) to 2.1(2) MPa/K. In contrast, incorporation of Al yields a negative Clapeyron slope of -0.8(2) MPa/K, insensitive to Fe variations up to 21 mol%. By combining our experimental constraints with literature pressure-volume data, we modeled density-depth profiles of orthopyroxene with varying compositions along a representative cold slab geotherm. The modeling shows that the α-β transition from the En97Fs3 to a mantle-typical composition (Fs9) occurs at nearly the same depths of ~ 420–440 km, with density jumps of ~ 0.8-1.0%. This phase transition in cold subductions labs can enhance the slab pull and promote slab penetration. In contrast, for Fe contents up to 21 mol%, incorporation of 2–7 mol% Al can delay the transition to a slightly greater depth of ~ 470–520 km and yields density jumps of ~ 0.5–0.8%. This means that Al-bearing low-density α-phase can persist to a deeper depth and may contribute to slab stagnation in the transition zone.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":"1 - 10"},"PeriodicalIF":1.6,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148172409","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

Phase transitions and structural evolution of leucite (K[AlSi₂O₆]) from in-situ high-temperature powder X-ray diffraction 原位高温粉末x射线衍射分析白晶石（K[AlSi₂O₆]）的相变和结构演化

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-05-31 DOI: 10.1007/s00269-026-01351-1

Paolo Ballirano

{"title":"Phase transitions and structural evolution of leucite (K[AlSi₂O₆]) from in-situ high-temperature powder X-ray diffraction","authors":"Paolo Ballirano","doi":"10.1007/s00269-026-01351-1","DOIUrl":"10.1007/s00269-026-01351-1","url":null,"abstract":"<div>Leucite (ideally K[AlSi₂O₆]) exhibits a complex sequence of structural transformations upon heating, the nature of which—particularly the existence of intermediate phases and the behaviour of the extra-framework potassium cation—has long been debated. In this study, highly accurate in-situ high-temperature powder X-ray diffraction (HT-PXRD) data were collected over the 303–1173 K range and analysed using the Rietveld method. The results support a continuous transition sequence from the low-temperature tetragonal I41/a phase to an intermediate tetragonal I41/acd modification, followed by the high-temperature cubic Ia(:stackrel{-}{3})d phase. In the 873–898 K interval, the data are best described by the coexistence of two phases, namely I41/a + I41/acd at 873 K and I41/acd + Ia(:stackrel{-}{3})d at 898 K. Given the long acquisition times and adequate thermal equilibration, the observed coexistence is best attributed to minor thermal gradients along the capillary rather than sluggish transition kinetics, providing a consistent explanation for previously reported lattice volume discontinuities. Furthermore, spontaneous strain analysis confirms that the ferroelastic transition is fully consistent, within experimental uncertainty, with a second-order Landau free energy expansion. While the intrinsic limitations of conventional PXRD preclude the refinement of Al/Si ordering, structural data indicate that the framework evolution is closely coupled to the extra-framework K cation. Bond-valence analysis indicates an apparent underbonding of K throughout the investigated range; however, this is consistent with pronounced dynamic disorder (rattling) within the framework cavities, prior to attaining a more regular 12-fold coordination in the cubic phase.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2026-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-026-01351-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148173495","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}

引用次数: 0

High-pressure spectroscopic investigation of ε-FeOOH: toward a better understanding of pressure-induced hydrogen-bond symmetrization ε-FeOOH的高压光谱研究：更好地理解压力诱导的氢键对称

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-05-24 DOI: 10.1007/s00269-026-01355-x

Izumi Mashino, Shigeru Yamashita, Takashi Yoshino

{"title":"High-pressure spectroscopic investigation of ε-FeOOH: toward a better understanding of pressure-induced hydrogen-bond symmetrization","authors":"Izumi Mashino, Shigeru Yamashita, Takashi Yoshino","doi":"10.1007/s00269-026-01355-x","DOIUrl":"10.1007/s00269-026-01355-x","url":null,"abstract":"<div>High-pressure spectroscopic measurements of ε-FeOOH were conducted up to ~ 65 GPa at room temperature in diamond anvil cells. The pressure evolution of the Raman vibrational modes confirms that a hydrogen-bond-symmetrization-induced phase transition from P21nm to Pnnm occurs at ~ 18 GPa. Infrared (IR) spectroscopic measurements suggest that the Pnnm phase has a disordered hydrogen state, and no spectroscopic evidence for fully centered hydrogen bonds is observed within the investigated pressure range. Above ~ 45 GPa, Fe3+ in ε-FeOOH undergoes a high-spin to low-spin transition as indicated by a reduction of the unit cell volume, together with reductions in IR transmitted and Raman signals. These results demonstrate that ε‑FeOOH preserves a disordered hydrogen‑bond configuration up to at least 45 GPa, whereas δ-AlOOH transforms to a centered hydrogen-bond configuration at ~ 18 GPa. This compositional contrast suggests that Fe‑bearing oxyhydroxides follow a distinct evolution of hydrogen bonding under compression, providing insight into hydrogen behavior in deep Earth materials.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2026-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-026-01355-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148009777","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}

引用次数: 0

Thermal expansion of iron phosphides 磷化铁的热膨胀

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-05-18 DOI: 10.1007/s00269-026-01354-y

Yuan Yin, Wen Wen, Shuangmeng Zhai

{"title":"Thermal expansion of iron phosphides","authors":"Yuan Yin, Wen Wen, Shuangmeng Zhai","doi":"10.1007/s00269-026-01354-y","DOIUrl":"10.1007/s00269-026-01354-y","url":null,"abstract":"<div>Iron-rich phosphides are functional materials for the hydrogen evolution reaction and also analogues of Fe-Ni-P minerals found in meteorites and pyrometamorphic rocks on Earth. They are also potential components in solid metallic cores of the Earth, Mars, and other terrestrial planets. The thermal expansion coefficients (α) of three iron-rich phosphides (FeP, Fe2P, and Fe3P) were investigated by in-situ synchrotron X-ray powder diffraction from room temperature to 1073 K. By fitting the obtained volume-temperature (V-T) data using a function of α(T) = α0 + α1⋅T (Fei model), the parameters α0 and α1 for FeP’s volume are 2.60(22) ⋅10− 5 K− 1 and 3.57(36) ⋅10− 8 K− 2, for Fe2P’s volume are 3.26(37) ⋅10− 5 K− 1 and 3.70(64) ⋅10− 8 K− 2, and for Fe3P’s volume are 1.96(20) ⋅10− 5 K− 1 and 4.01(32) ⋅10− 8 K− 2, respectively. Axial thermal expansions are different in three iron phosphides. Combined with previous results, the density profiles of solid Fe3P and FeP in the Martian core conditions were calculated and compared with those of Fe3S, FeS and fcc Fe. Fe3P has a similar density to Fe3S under Martian core conditions, suggesting that phosphorus can exist in the Martian solid inner core if the core comprises iron sulfide.</div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2026-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148009059","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

Filling the gap between lansfordite and nesquehonite: MgCO3·4H2O, a new magnesium carbonate hydrate 一种新的碳酸镁水合物MgCO3·4H2O，填补了兰斯福特矿和奈斯奎洪矿之间的空白

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-05-02 DOI: 10.1007/s00269-026-01349-9

Guntram Jordan, Samuel B. Strohm, Aleksandar Živković, Giacomo Criniti, Kai-Uwe Hess, Melanie Kaliwoda, Elena V. Sturm, Daniel Weidendorfer

{"title":"Filling the gap between lansfordite and nesquehonite: MgCO3·4H2O, a new magnesium carbonate hydrate","authors":"Guntram Jordan, Samuel B. Strohm, Aleksandar Živković, Giacomo Criniti, Kai-Uwe Hess, Melanie Kaliwoda, Elena V. Sturm, Daniel Weidendorfer","doi":"10.1007/s00269-026-01349-9","DOIUrl":"10.1007/s00269-026-01349-9","url":null,"abstract":"<div>\u0000 \u0000 Formation conditions, transformation mechanisms, and transformation product selection of magnesium carbonate hydrate phases at temperatures near the freezing point of water are poorly understood. In this study, carbonated Mg(OH)2 suspensions were aerated at T = 0 °C to obtain solutions from which either MgCO3·6H2O or lansfordite (MgCO3·5H2O) precipitated, with the selected phase depending on the aeration rate. Subsequently, magnesium carbonate hexahydrate was subject to transformation experiments yielding five different products. The product selection depended on the transformation condition. Among the products, a new phase was identified and characterized as a neutral magnesium carbonate hydrate with the chemical composition MgCO3·4H2O. Implications of the synthesis route and analytical results suggest that this tetrahydrate phase forms from MgCO3·6H2O by the release of two weakly bonded water molecules per formula unit, accompanied by a relaxation of the remaining MgCO₃·4H₂O layers without disrupting the edge-sharing octahedral pairs of the parental structure. Density functional theory calculations confirmed the stability of the proposed crystal structure through the examination of its phonon dynamics and subsequent vibrational analysis. Furthermore, the simulated X-ray powder diffraction pattern is in reasonable agreement with the experimental data when accounting for the high crystalline disorder inevitably introduced by the transformation process.\u0000 </div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2026-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s00269-026-01349-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829516","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}

引用次数: 0

Effect of molybdenum and vanadium substitution in langbeinite phosphates: structural and thermal expansion investigation of KPbCr2P3−xMxO12 (M = V, Mo and x = 0.1, 0.2) 钼钒取代对磷langbeite磷酸盐的影响：KPbCr2P3−xMxO12 （M = V, Mo, x = 0.1, 0.2）的结构和热膨胀研究

IF 1.6 4区地球科学

Physics and Chemistry of Minerals Pub Date : 2026-04-15 DOI: 10.1007/s00269-026-01348-w

Daneshwaran Balaji, Triveni Rajashekhar Mandlimath, Sathasivam Pratheep Kumar

{"title":"Effect of molybdenum and vanadium substitution in langbeinite phosphates: structural and thermal expansion investigation of KPbCr2P3−xMxO12 (M = V, Mo and x = 0.1, 0.2)","authors":"Daneshwaran Balaji, Triveni Rajashekhar Mandlimath, Sathasivam Pratheep Kumar","doi":"10.1007/s00269-026-01348-w","DOIUrl":"10.1007/s00269-026-01348-w","url":null,"abstract":"<div>\u0000 \u0000 This research work reports synthesis, characterization and thermal expansion investigation of vanadium and molybdenum substituted langbeinite phosphates with the chemical formula KPbCr2P2.9V0.1O12, KPbCr2P2.8V0.2O12 and KPbCr2[P2.9Mo0.1]+0.1O12, KPbCr2[P2.8Mo0.2]+0.2O12. All the four-materials exhibit phase pure cubic structure with P213 space group. Rietveld refinement studies authenticate the single-phase formation with the least chi square values. The lattice parameters and lattice volume increased upon the substitution of bigger of VO4 and MoO4 for smaller PO4 group in the framework. The morphological and elemental mapping investigation reveal the crystalline nature of materials, shape of the particles and distribution of the elements. The peak shift and peak broadness in the vibrational modes of FTIR spectra affirms that the VO4 and MoO4 tetrahedral groups have effectively been substituted for the PO4 tetrahedra. The average coefficient of thermal expansion of KPbCr2P2.8V0.2O12 and KPbCr2[P2.8Mo0.2]+0.2O12 is found to be 1.44 × 10− 6 / K and 1.04 × 10− 6 / K.\u0000 </div>","PeriodicalId":20132,"journal":{"name":"Physics and Chemistry of Minerals","volume":"53 2","pages":""},"PeriodicalIF":1.6,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147737463","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