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Keywords = Al2C2Mg crystal structure

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23 pages, 6375 KB  
Article
Assigning Single-Crystal NMR Data to Crystallographic Sites for Symmetry-Affected Interaction Tensors: A Case Study of Sinhalite, MgAlBO4, by 11B and 27Al NMR Spectroscopy and DFT Calculations
by Jennifer Steinadler, Kristian Witthaut, Georg Krach, Rupert Hochleitner and Thomas Bräuniger
Crystals 2026, 16(6), 395; https://doi.org/10.3390/cryst16060395 - 17 Jun 2026
Viewed by 285
Abstract
The natural mineral sinhalite, MgAlBO4, was investigated by means of single-crystal NMR spectroscopy. In its orthorhombic space group, the aluminium and boron atoms occupy Wyckoff positions 4b and 4c, but the specific site symmetry of the boron [...] Read more.
The natural mineral sinhalite, MgAlBO4, was investigated by means of single-crystal NMR spectroscopy. In its orthorhombic space group, the aluminium and boron atoms occupy Wyckoff positions 4b and 4c, but the specific site symmetry of the boron atoms situated on a mirror plane leads two only two instead of four magnetically inequivalent atoms per site. This structural feature also restricts the corresponding NMR interaction tensors and reduces known assignment ambiguities regarding the NMR resonances of 27Al and 11B to distinct atomic positions. Comparing the experimentally determined eigenvectors of the quadrupolar coupling tensors with the results of DFT calculations for the electric field gradients further condensed the remaining options and delivered the full quadrupolar coupling tensors for both nuclides in the crystal structure of sinhalite. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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18 pages, 13172 KB  
Article
The Influence of SiC and Al2O3 Particles on the Microstructure and Tribological Properties of the EN-GJL-150 Cast Iron-Based Composite
by Jaroslaw Piatkowski, Mateusz Wojciechowski, Tomasz Matula and Katarzyna Nowinska
Materials 2026, 19(10), 2040; https://doi.org/10.3390/ma19102040 - 13 May 2026
Viewed by 385
Abstract
This article presents preliminary research on the development of a cast iron–ceramic composite for modern braking systems, such as brake discs. The composite matrix is gray cast iron with flake graphite (EN-GJL-150). The reinforcing phase is a porous ceramic composed of SiC and [...] Read more.
This article presents preliminary research on the development of a cast iron–ceramic composite for modern braking systems, such as brake discs. The composite matrix is gray cast iron with flake graphite (EN-GJL-150). The reinforcing phase is a porous ceramic composed of SiC and Al2O3 particles introduced separately (10% each) and together (70% SiC + 30% Al2O3). These particles were applied as a suspension onto polyurethane foam, yielding a ceramic structure with a pore density of up to 10 ppi. The resulting insert was placed in a mold cavity, and cast iron was poured into it. The resulting samples were treated as brake disc material, with a pad made of the commercial friction material P50094 serving as the countersample. Tribological tests showed that the lowest sample wear (average 2.23 mg/5000 m) was achieved for the composite reinforced with SiC + Al2O3 particles. This is probably due to the synergy between the antifriction properties of these particles and the lower friction coefficient (µ = 0.180–0.22). Similar mass loss values and the smallest difference between the tested samples were observed for composites with SiC particles (3.01 mg/5000 m) and Al2O3 (3.30 mg/5000 m). The second part consisted of microstructural studies. Microstructural analysis of the EN-GJL-150 + SiC + Al2O3 composite revealed a previously unobserved nucleation phenomenon at the cast iron–ceramic interface. This confirmed the general assumptions of Riposan’s theory regarding the involvement of oxide microinclusions and complex manganese sulfides of the (Mn, X)S type in the nucleation and crystallization of graphite precipitates. It was also found that, in the case of “in situ” GJL-150 + SiC + Al2O3 composites, this theory should account for the beneficial role of ceramic particles in promoting the uniform distribution of type A graphite flakes, which nucleate on their surfaces in the transition zone. Thus, the nucleating role of oxide microinclusions (the first stage of Riposan’s theory) could be taken over by SiC and Al2O3 particles, constituting a substrate for the heterogeneous nucleation of (Mn, X)S sulfides. Full article
(This article belongs to the Section Advanced Composites)
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11 pages, 3270 KB  
Article
Utilization of Secondary Copper Smelting Slags for Proppant Production
by Galymzhan Adilov, Bagdagul Uakhitova, Assylbek Abdirashit and Aldiyar Bazarbay
Metals 2026, 16(3), 328; https://doi.org/10.3390/met16030328 - 15 Mar 2026
Viewed by 472
Abstract
The accumulation of copper smelting slags generated by non-ferrous metallurgy represents both an environmental challenge and a potential source of technogenic raw materials for value-added products. In this study, the feasibility of producing magnesia–quartz proppants from secondary copper smelting slag formed after the [...] Read more.
The accumulation of copper smelting slags generated by non-ferrous metallurgy represents both an environmental challenge and a potential source of technogenic raw materials for value-added products. In this study, the feasibility of producing magnesia–quartz proppants from secondary copper smelting slag formed after the pyrometallurgical extraction of iron and zinc was investigated. The slag, primarily composed of oxides of the SiO2–CaO–Al2O3–MgO system, was processed by centrifugal melt granulation to obtain spherical granules suitable for proppant applications. The initial granules exhibited an amorphous glassy structure and insufficient mechanical strength, with up to 70% of particles destroyed under a pressure of 34.5 MPa. Controlled heat treatment within the temperature range of 300–1000 °C induced crystallization of silicate and aluminosilicate phases, leading to a significant improvement in mechanical performance. Optimal properties were achieved after holding at 800 °C for 60 min, where the fraction of crushed granules decreased to 10%, meeting the requirements of GOST R 54571-2011. The influence of MgO content on microstructure and strength was also examined. Increasing the MgO concentration from 5 to 16 wt.% resulted in grain refinement and improved crushing resistance, reducing the fraction of destroyed granules to 3%. To enhance chemical durability, a phenol–formaldehyde protective coating was applied, decreasing proppant solubility in a hydrochloric–hydrofluoric acid mixture from 19% to 2%. These results demonstrate that secondary copper smelting slag can serve as a promising raw material for producing standard-compliant proppants while contributing to the efficient utilization of metallurgical waste. Full article
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15 pages, 7462 KB  
Article
Shagamite, KFe11O17, a New Mineral with β-Alumina Structure from the Hatrurim Basin, Negev Desert, Israel
by Evgeny V. Galuskin, Hannes Krüger, Irina O. Galuskina, Biljana Krüger, Krzysztof Nejbert and Yevgeny Vapnik
Minerals 2026, 16(2), 180; https://doi.org/10.3390/min16020180 - 6 Feb 2026
Cited by 1 | Viewed by 1003
Abstract
Shagamite, KFe11O17 (IMA 2020-091) was discovered in the ferrite zone of gehlenite hornfels from the Hatrurim Complex exposed near Mt. Ye’elim, Hatrurim Basin, Israel. The mineral occurs in outer zones of gehlenite rock blocks that were heterogeneously altered by high-temperature [...] Read more.
Shagamite, KFe11O17 (IMA 2020-091) was discovered in the ferrite zone of gehlenite hornfels from the Hatrurim Complex exposed near Mt. Ye’elim, Hatrurim Basin, Israel. The mineral occurs in outer zones of gehlenite rock blocks that were heterogeneously altered by high-temperature (>1200 °C) ferritization. Ferritization was induced by K-bearing fluids or melts, generated as a by-product of late combustion processes. Shagamite crystallized from a thin melt that formed on the rock surface during cooling to approximately 800–900 °C. It is mainly associated with minerals of the magnetoplumbite group like barioferrite, Sr-analog of barioferrite, and gorerite but also with magnetite, maghemite, harmunite, devilliersite and K(Sr,Ca)Fe23O36 hexaferrite. Shagamite is a modular compound with a β-alumina-type structure (P63/mmc, a = 5.9327 (5), c = 23.782 (3) Å, γ = 120°, V = 724.91 (13) Å3, Z = 2), and it is isostructural with diaoyudaoite, NaAl11O17, and kahlenbergite, KAl11O17. Its structure is also closely related, though non-isotypic, to those of the magnetoplumbite-group minerals. Shagamite is dark brown with a semi-metallic luster and forms platy crystals flattened on (001). Its mean empirical formula is: (K1.00Ca0.15Mn2+0.05Na0.04Rb0.01)Σ1.25(Fe10.36Mn2+0.15Al0.14Mg0.12Zn0.10Ni0.07Cu0.03Cr3+0.02Ti4+0.01)Σ11.00O17. The Vickers microhardness VHN25 = 507 kg/mm2 corresponds to a Mohs hardness of ~5. The calculated density, based on the empirical formula and unit-cell parameters, is 4.12 g·cm−3. The main bands in the Raman spectrum of shagamite occur at 685 and 715 cm−1 and are assigned to ν1(FeO4)5− tetrahedral vibrations. Full article
(This article belongs to the Collection New Minerals)
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11 pages, 2377 KB  
Article
Manganobadalovite, NaNaMn(MgFe3+)(AsO4)3, a New Alluaudite-Group Mineral from the Tolbachik Volcano, Kamchatka, Russia
by Natalia N. Koshlyakova, Igor V. Pekov, Dmitry I. Belakovskiy, Marina F. Vigasina, Natalia V. Zubkova, Atali A. Agakhanov, Sergey N. Britvin, Anna G. Turchkova, Elena S. Zhitova, Evgeny G. Sidorov and Dmitry Yu. Pushcharovsky
Minerals 2026, 16(2), 142; https://doi.org/10.3390/min16020142 - 28 Jan 2026
Cited by 1 | Viewed by 718
Abstract
The new alluaudite-group mineral manganobadalovite (IMA 2020-035), ideally NaNaMn(MgFe3+)(AsO4)3, was found in the Arsenatnaya fumarole, the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption 1975–1976, Tolbachik volcano, Kamchatka peninsula, Far-Eastern Region, Russia. [...] Read more.
The new alluaudite-group mineral manganobadalovite (IMA 2020-035), ideally NaNaMn(MgFe3+)(AsO4)3, was found in the Arsenatnaya fumarole, the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption 1975–1976, Tolbachik volcano, Kamchatka peninsula, Far-Eastern Region, Russia. Manganobadalovite is a fumarolic mineral, and its aggregates are found overgrowing basalt scoria or exhalative hematite crystal crusts. Associated minerals are badalovite, hematite, cassiterite, sanidine, glauberite and metathénardite. Manganobadalovite occurs as prismatic to equant crystals up to 0.8 mm long typically combined in open-work clusters; it also forms grains that are irregular in shape and cavernous granular crusts up to 0.5 cm. The mineral is transparent, with vitreous luster, and its color varies from red to yellow. Manganobadalovite is brittle and has a noticeable cleavage in one direction and uneven fracture. The calculated density is 4.108 g cm−3. Manganobadalovite is optically biaxial (+), α = 1.790 (7), β = 1.800 (7), γ = 1.815 (8) and 2Vmeas = 80 (5)°. Chemical composition (wt.%, electron-microprobe): Na2O 8.75, K2O 0.17, MgO 5.32, CaO 3.68, MnO 10.09, CuO 0.42, Al2O3 0.18, Fe2O3 13.90, V2O5 0.42, As2O5 56.75, total 99.68. The empirical formula calculated based on 12 O apfu is Na1.69K0.02Ca0.39Mn0.85Mg0.79Cu0.03Fe3+1.04Al0.02(As2.96V0.03)∑2.99O12. The crystal structure was solved using single-crystal XRD data, R = 2.30%. Manganobadalovite is monoclinic, C2/c, a = 12.1848(5), b = 12.8924(4), c = 6.6970(3) Å, β = 113.113(5)°, V = 967.60(7) Å3 and Z = 4. The strongest reflections of the powder XRD pattern are [d,Å(I)(hkl)]: 6.43(30)020, 3.589(32)(−131, 310), 3.215(38)(040, −112), 3.079(23)(221, 002), 2.941(32)(−312, −222, −331), 2.852(15)(041), 2.788(100)(330, 400, 240, 022), 2.649(22)(−402, 112), 2.626(25)(−132). Manganobadalovite is named as an analogue of badalovite NaNaMg(MgFe3+)(AsO4)3 with Mn2+ prevailing in the M(1) site. Full article
(This article belongs to the Collection New Minerals)
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19 pages, 4052 KB  
Article
Microstructure and Wear Resistance of (Mg2Si + SiCp)/Al Composites
by Dekun Zhou, Xiaobo Liu and Miao Yang
Metals 2026, 16(1), 111; https://doi.org/10.3390/met16010111 - 18 Jan 2026
Viewed by 559
Abstract
The microstructure and wear behaviors of Mg2Si/Al composites with 0 wt.%, 5 wt.%, and 10 wt.% SiC particles were studied using XRD, OM observation, SEM observation, EDS analysis, an extraction experiment, a hardness test, and the dry sliding wear test. It [...] Read more.
The microstructure and wear behaviors of Mg2Si/Al composites with 0 wt.%, 5 wt.%, and 10 wt.% SiC particles were studied using XRD, OM observation, SEM observation, EDS analysis, an extraction experiment, a hardness test, and the dry sliding wear test. It is shown by the results that after the addition of 10 wt.% SiC particles, the population of primary Mg2Si particles increased, while the mean size of these particles reduced from 40 ± 10 μm (in the SiC-free composite) to 25 ± 8 μm. Both the matrix and the eutectic structure were refined. The tetrakaidecahedral morphologies of Mg2Si crystals were confirmed by the results of extraction tests. The wear test results with GCr15 steel as the friction pair show that the Mg2Si/Al composite with 10 wt.% SiC particles displayed more favorable wear resistance than the specimens with 0 wt.% and 5 wt.% SiC particle additions under both constant load and constant sliding velocity conditions. Under applied loads of 10 N, 20 N, and 30 N at a fixed sliding speed of 300 r/min, the wear rate of the Mg2Si-Al composites reinforced with 10 wt.% SiC particles was 36.01%, 48.29%, and 23.32% lower than that of the SiC-free composites, respectively. When the sliding speed was set to 300 r/min, 550 r/min, 750 r/min, and 1000 r/min under a constant applied load of 20 N, the wear rate of the 10 wt.% SiC-reinforced Mg2Si-Al composites was reduced by 40.37%, 40.87%, 26.20%, and 25.78%, respectively, compared with the SiC-free counterparts. The wear failure mechanisms of (Mg2Si + SiCP)/Al composites were mainly adhesive wear and abrasive wear, but the proportion of oxidation wear increased after the addition of the SiC particles. Full article
(This article belongs to the Special Issue Recent Advances in Forming Processes of Lightweight Metals)
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20 pages, 6614 KB  
Article
The Effect of the Variation in Al2O3 and SrO Content on the Structure, Sintering Behavior, and Properties of SrO, BaO, ZnO, MgO-B2O3-Al2O3-SiO2 Glass-Ceramics for Use in Al2O3 Ceramic LTCC Applications
by Junlin Xie, Ningning Li, Pengkai Shang, Zijun He, Lei Zhao and Feng He
Materials 2025, 18(19), 4510; https://doi.org/10.3390/ma18194510 - 28 Sep 2025
Cited by 6 | Viewed by 1542
Abstract
A systematic investigation was conducted into the effects of varying Al2O3 and SrO contents on the structure, sintering kinetics, crystallization patterns, and properties of the SrO-BaO-ZnO-MgO (RO)-B2O3-Al2O3-SiO2 (RBAS) system. This glass-ceramic [...] Read more.
A systematic investigation was conducted into the effects of varying Al2O3 and SrO contents on the structure, sintering kinetics, crystallization patterns, and properties of the SrO-BaO-ZnO-MgO (RO)-B2O3-Al2O3-SiO2 (RBAS) system. This glass-ceramic demonstrates effective applicability for low-temperature co-firing of alumina ceramics. Increasing Al2O3 content densified the glass network and reduced crystallinity, thereby promoting sintering densification. It led to improved acid resistance and a lower coefficient of thermal expansion (CTE). The composition with 17.50 mol% Al2O3 sintered at 800 °C exhibited optimal properties: a well-matched CTE of 7.45 × 10−6 K−1, a high flexural strength of 130.58 MPa, and excellent chemical stability. Furthermore, it demonstrated excellent compatibility when co-sintered with an Al2O3 substrate. Full article
(This article belongs to the Special Issue Applications of Advanced Glass in Information, Energy and Engineering)
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15 pages, 3751 KB  
Article
Local Structural Changes in High-Alumina, Low-Lithium Glass-Ceramics During Crystallization
by Minghan Li, Yan Pan, Shuguang Wei, Yanping Ma, Chuang Dong, Hongxun Hao and Hong Jiang
Nanomaterials 2025, 15(18), 1449; https://doi.org/10.3390/nano15181449 - 20 Sep 2025
Cited by 2 | Viewed by 1673
Abstract
In this study, we investigate the phase transition process during high-alumina, low-lithium glass-ceramics (ZnO-MgO-Li2O-SiO2-Al2O3) crystallization. The differential scanning calorimetry and high-temperature X-ray diffraction results show that approximately 10 wt.% of (Zn, Mg)Al2O4 [...] Read more.
In this study, we investigate the phase transition process during high-alumina, low-lithium glass-ceramics (ZnO-MgO-Li2O-SiO2-Al2O3) crystallization. The differential scanning calorimetry and high-temperature X-ray diffraction results show that approximately 10 wt.% of (Zn, Mg)Al2O4 crystals precipitated when the heat treatment temperature reached 850 °C, indicating that a large number of nuclei had already formed during the earlier stages of heat treatment. Field emission transmission electron microscopy used to observe the microstructure of glass-ceramics after staged heat treatment revealed that cation migration occurred during the nucleation process. Zn and Mg aggregated around Al to form (Zn, Mg)Al2O4 nuclei, which provided sites for crystal growth. Moreover, high-valence Zr aggregated outside the glass network, leading to the formation of nanocrystals. Raman spectroscopy analysis of samples at different stages of crystallization revealed that during spinel precipitation, the Q3 and Q4 structural units in the glass network increased significantly, along with an increase in the number of bridging oxygens. Highly coordinated Al originally present in the network mainly participated in spinel nucleation, effectively suppressing the subsequent formation of LixAlxSi1−xO2, which eventually resulted in the successful preparation of glass-ceramics with (Zn, Mg)Al2O4 and ZrO2 as the main crystalline phases. The grains in this glass-ceramic are all nanocrystals. Its Vickers hardness and flexural strength can reach up to 875 Hv and 350 MPa, respectively, while the visible light transmittance of the glass-ceramic reaches 81.5%. This material shows potential for applications in touchscreen protection, aircraft and high-speed train windshields, and related fields. Full article
(This article belongs to the Section Inorganic Materials and Metal-Organic Frameworks)
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18 pages, 12804 KB  
Article
Effects of WC Addition on Microstructure and Properties of Plasma-Cladded AlCoCrFeNi High-Entropy Alloy Coatings
by Xinbin Liu, Juangang Zhao, Tiansheng Li, Zhengbing Meng, Jinbiao Qing, Wen Xu, Youxuan Ouyang and Yuanyuan Zeng
Lubricants 2025, 13(9), 407; https://doi.org/10.3390/lubricants13090407 - 12 Sep 2025
Cited by 2 | Viewed by 1244
Abstract
In order to enhance the performance of 20# steel, this study successfully fabricated AlCoCrFeNi high-entropy alloy coatings with different WC contents (x = 0, 10, 20, 30 wt%) on its surface using plasma cladding technology. The effects of WC content on the microstructure, [...] Read more.
In order to enhance the performance of 20# steel, this study successfully fabricated AlCoCrFeNi high-entropy alloy coatings with different WC contents (x = 0, 10, 20, 30 wt%) on its surface using plasma cladding technology. The effects of WC content on the microstructure, mechanical properties, and corrosion resistance of the coatings were systematically investigated. The results indicate that without WC addition, the coating consists of a dual-phase structure comprising BCC and FCC phases. With the incorporation of WC, the FCC phase disappears, and the coating evolves into a composite structure based on the BCC matrix, embedded with multiple carbide phases such as W2C, M7C3, MxCγ, and Co6W6C. These carbides are predominantly distributed along grain boundaries. As the WC content increases, significant grain refinement occurs and the volume fraction of carbides rises. The coating exhibits a mixed microstructure of equiaxed and columnar crystals, with excellent metallurgical bonding to the substrate. The microhardness of the coating increases markedly with higher WC content; however, the rate of enhancement slows when WC exceeds 20 wt%. The hardness of 1066.36 HV is achieved at 30 wt% WC. Wear test results show that both the friction coefficient and wear rate first decrease and then increase with increasing WC content. The optimal wear resistance is observed at 20 wt% WC, with a friction coefficient of 0.549 and a wear mass loss of only 0.25 mg, representing an approximately 40% reduction compared to the WC-free coating. Electrochemical tests demonstrate that the coating with 20 wt% WC facilitates the formation of a dense and stable passive film in NaCl solution, effectively inhibiting Cl ion penetration. This coating exhibits the best corrosion resistance, characterized by the lowest corrosion current density of 1.349 × 10−6 A·cm−2 and the highest passive film resistance of 2764 Ω·cm2. Full article
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21 pages, 3739 KB  
Article
Occurrence State and Extraction of Lithium from Jinyinshan Clay-Type Lithium Deposit, Southern Hubei: Novel Blank Roasting–Acid Leaching Processes
by Hao Zhang, Peng Li, Wensheng Zhang, Jiankang Li, Zhenyu Chen, Jin Yin, Yong Fang, Shuang Liu, Jian Kang and Dan Zhu
Appl. Sci. 2025, 15(16), 9100; https://doi.org/10.3390/app15169100 - 18 Aug 2025
Cited by 2 | Viewed by 1762
Abstract
Addressing the technological bottlenecks in the efficient utilization of clay-type Li deposits in China, this study systematically investigates Li occurrence states and develops clean extraction processes using the Jinyinshan clay-type Li deposit in southern Hubei as a case study. The research aims to [...] Read more.
Addressing the technological bottlenecks in the efficient utilization of clay-type Li deposits in China, this study systematically investigates Li occurrence states and develops clean extraction processes using the Jinyinshan clay-type Li deposit in southern Hubei as a case study. The research aims to provide technical guidance for subsequent geological exploration and development of such deposits. Analytical techniques, including AMICS, EPMA, and LA-ICP-MS, reveal that Li primarily occurs in structurally bound forms within cookeite (82.55% of total Li), illite (6.65%), and rectorite (5.20%), with mineral particle sizes concentrated in fine-grained fractions (<45 μm). Leveraging process mineralogical insights, two industrially adaptable blank roasting–acid leaching processes were innovatively developed. Process I employs a full flow of blank roasting–hydrochloric acid leaching–Li-Al separation–Ca/Mg removal–concentration for Li precipitation–three-stage counter-current washing. Optimizing roasting temperature (600 °C), hydrochloric acid concentration (18 wt%), and leaching parameters achieved a 92.37% Li leaching rate. Multi-step purification yielded lithium carbonate with >99% Li2CO3 purity and an overall Li recovery of 73.89%. Process II follows blank roasting–sulfuric acid leaching–Al removal via alum precipitation–Al/Fe removal–freeze crystallization for sodium sulfate removal–Ca/Mg removal–concentration for Li precipitation–three-stage counter-current washing. Parameter optimization and freezing impurity removal achieved an 89.11% Li leaching rate, producing lithium carbonate with >98.85% Li2CO3 content alongside by-products like crude sodium chloride and ammonium alum. Both processes enable resource utilization of Al-rich residues, with the hydrochloric acid-based method excelling in stability and the sulfuric acid-based approach offering superior by-product valorization potential. This low-energy, high-yield clean extraction system provides critical theoretical and technical foundations for scaling clay-type Li deposit utilization, advancing green Li extraction and industrial chain development. Full article
(This article belongs to the Special Issue Recent Advances in Geochemistry)
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17 pages, 7952 KB  
Article
Achyrophanite, (K,Na)3(Fe3+,Ti,Al,Mg)5O2(AsO4)5, a New Mineral with the Novel Structure Type from Fumarolic Exhalations of the Tolbachik Volcano, Kamchatka, Russia
by Igor V. Pekov, Natalia V. Zubkova, Natalia N. Koshlyakova, Dmitry I. Belakovskiy, Marina F. Vigasina, Atali A. Agakhanov, Sergey N. Britvin, Anna G. Turchkova, Evgeny G. Sidorov, Pavel S. Zhegunov and Dmitry Yu. Pushcharovsky
Minerals 2025, 15(7), 706; https://doi.org/10.3390/min15070706 - 2 Jul 2025
Cited by 2 | Viewed by 1126
Abstract
The new mineral achyrophanite (K,Na)3(Fe3+,Ti,Al,Mg)5O2(AsO4)5 was found in high-temperature sublimates of the Arsenatnaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, [...] Read more.
The new mineral achyrophanite (K,Na)3(Fe3+,Ti,Al,Mg)5O2(AsO4)5 was found in high-temperature sublimates of the Arsenatnaya fumarole at the Second scoria cone of the Northern Breakthrough of the Great Tolbachik Fissure Eruption, Tolbachik volcano, Kamchatka, Russia. It is associated with aphthitalite-group sulfates, hematite, alluaudite-group arsenates (badalovite, calciojohillerite, johillerite, nickenichite, hatertite, and khrenovite), ozerovaite, pansnerite, arsenatrotitanite, yurmarinite, svabite, tilasite, katiarsite, yurgensonite, As-bearing sanidine, anhydrite, rutile, cassiterite, and pseudobrookite. Achyrophanite occurs as long-prismatic to acicular or, rarer, tabular crystals up to 0.02 × 0.2 × 1.5 mm, which form parallel, radiating, bush-like, or chaotic aggregates up to 3 mm across. It is transparent, straw-yellow to golden yellow, with strong vitreous luster. The mineral is brittle, with (001) perfect cleavage. Dcalc is 3.814 g cm–3. Achyrophanite is optically biaxial (+), α = 1.823(7), β = 1.840(7), γ = 1.895(7) (589 nm), 2V (meas.) = 60(10)°. Chemical composition (wt.%, electron microprobe) is: Na2O 3.68, K2O 9.32, CaO 0.38, MgO 1.37, MnO 0.08, CuO 0.82, ZnO 0.48, Al2O3 2.09, Fe2O3 20.42, SiO2 0.12, TiO2 7.35, P2O5 0.14, V2O5 0.33, As2O5 51.88, SO3 1.04, and total 99.40. The empirical formula calculated based on 22 O apfu is Na1.29K2.15Ca0.07Mg0.34Mn0.01Cu0.11Zn0.06Al0.44Fe3+2.77Ti1.00Si0.02P0.02S0.14V0.04As4.90O22. Achyrophanite is orthorhombic, space group P2221, a = 6.5824(2), b = 13.2488(4), c = 10.7613(3) Å, V = 938.48(5) Å3 and Z = 2. The strongest reflections of the PXRD pattern [d,Å(I)(hkl)] are 5.615(59)(101), 4.174(42)(022), 3.669(31)(130), 3.148(33)(103), 2.852(43)(141), 2.814(100)(042, 202), 2.689(29)(004), and 2.237(28)(152). The crystal structure of achyrophanite (solved from single-crystal XRD data, R = 4.47%) is unique. It is based on the octahedral-tetrahedral M-T-O pseudo-framework (M = Fe3+ with admixed Ti, Al, Mg, Na; T = As5+). Large-cation A sites (A = K, Na) are located in the channels of the pseudo-framework. The achyrophanite structure can be described as stuffed, with the defect heteropolyhedral pseudo-framework derivative of the orthorhombic Fe3+AsO4 archetype. The mineral is named from the Greek άχυρον, straw, and φαίνομαι, to appear, in allusion to its typical straw-yellow color and long prismatic habit of crystals. Full article
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14 pages, 1991 KB  
Article
Atomic Interaction Mechanism of Heterogeneous Nucleation in Mg-Al Alloys Achieved by Carbon Inoculation
by Aimin Zhang, Ying Zhu, Kai Tao and Zhiyuan Zhang
Metals 2025, 15(6), 594; https://doi.org/10.3390/met15060594 - 26 May 2025
Cited by 1 | Viewed by 904
Abstract
Theoretical calculations were performed to explore the heterogeneous nucleation mechanism of an Mg-Al alloy inoculated by a carbon-containing substance. The valence electron structure and cohesive energy of Al4C3 and Al2C2Mg crystals were calculated using the empirical [...] Read more.
Theoretical calculations were performed to explore the heterogeneous nucleation mechanism of an Mg-Al alloy inoculated by a carbon-containing substance. The valence electron structure and cohesive energy of Al4C3 and Al2C2Mg crystals were calculated using the empirical electron theory of solids and molecules (EET). The binding energy of Al1-C2 bonds in Al4C3 is about 140.6 kJ/mol with a lower number of equivalent bonds. Correspondingly, the binding energy of Al2-C2 bonds is about 129.6 kJ/mol, and the number of equivalent bonds is high. The weak combination of the Al1 and C2 atomic layers might lead to the breaking of Al4C3, and then the remaining strong skeleton of the Al2-C2 structure will facilitate the formation of Al2C2Mg. Based on the calculating results, the atomic interaction mechanism to account for the heterogeneous nucleation of α-Mg by C inoculation is elaborated, which also provides insights into the essence of the overheating process and the influence of Al and Mn elements on the refinement efficiency of Al2C2Mg. Full article
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16 pages, 5955 KB  
Article
High-Temperature Layered Modification of Mn2In2Se5
by Ivan V. Chernoukhov, Anton D. Pyreu, Andrey N. Azarevich, Alexander N. Samarin, Alexey V. Bogach, Konstantin O. Znamenkov, Andrei V. Shevelkov and Valeriy Yu. Verchenko
Molecules 2025, 30(9), 1904; https://doi.org/10.3390/molecules30091904 - 24 Apr 2025
Viewed by 1053
Abstract
Layered chalcogenides are interesting from the point of view of the formation of two-dimensional magnetic systems for relevant applications in spintronics. High-spin Mn2+ or Fe3+ cations with five unpaired electrons are promising in the search for compounds with interesting magnetic properties. [...] Read more.
Layered chalcogenides are interesting from the point of view of the formation of two-dimensional magnetic systems for relevant applications in spintronics. High-spin Mn2+ or Fe3+ cations with five unpaired electrons are promising in the search for compounds with interesting magnetic properties. In this study, a new layered modification of the Mn2In2Se5 compound from the A2B2X5 family (“225”) was synthesized and investigated. A phase transition to the polymorph with primitive trigonal lattice was recorded at a temperature of 711 °C, which was confirmed by simultaneous thermal analysis, X-ray powder diffraction at elevated temperatures, and sample annealing and quenching. The stability of Mn2In2Se5 in air at high temperatures was investigated by thermal gravimetric analysis and powder X-ray diffraction. The new polymorph of Mn2In2Se5 crystallizes in the Mg2Al2Se5 structure type, as revealed by the Rietveld refinement against powder X-ray diffraction data. The crystal structure can be viewed as a close-packing of Se anions, in which indium and manganese cations are enclosed inside tetrahedral and octahedral voids, respectively, according to the AMnBInCBInCMnA… sequence. Magnetization measurements reveal an antiferromagnetic-like transition at a temperature of 6.3 K. The same magnetic properties are reported in the literature for the low-temperature R-centered trigonal polymorph. An approximation by the modified Curie–Weiss law yields a significant ratio of |θ|/TN = 28, which indicates strong magnetic frustration. Full article
(This article belongs to the Section Materials Chemistry)
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19 pages, 5566 KB  
Article
Microstructure and Mechanical Properties of AlSi10MnMg Alloy with Increased Content of Recycled Scrap
by Jaroslaw Piatkowski, Katarzyna Nowinska, Tomasz Matula, Grzegorz Siwiec, Michal Szucki and Beata Oleksiak
Materials 2025, 18(5), 1119; https://doi.org/10.3390/ma18051119 - 1 Mar 2025
Cited by 8 | Viewed by 2637
Abstract
Increasing the share of circulating scrap in produced castings is not only due to optimizing production costs, but also the need to protect the environment realized by reducing production energy intensity, generating less waste, mitigating greenhouse gas emissions, and consuming fewer natural resources. [...] Read more.
Increasing the share of circulating scrap in produced castings is not only due to optimizing production costs, but also the need to protect the environment realized by reducing production energy intensity, generating less waste, mitigating greenhouse gas emissions, and consuming fewer natural resources. However, this is associated with maintaining the required properties of castings and considering the impact of impurities on the formation of the structure of aluminum alloys. This research concerns the AlSi10MnMg alloy, which introduces 50 to 75% (every 5%) of circulating scrap. This alloy is one of the most commonly used for producing gravity and pressure die-castings (HPDC), including engine parts and transport structural elements. Based on microscopic research, it was found that the increase in scrap content causes an increase in the share of iron, which results in pre-eutectic (from about 0.45 wt.% to 0.7 wt.% Fe) or even primary crystallization of iron phases (over 0.7 wt.% Fe), mainly the plate–needle phase β-Al5FeSi. Its unfavorable morphology and size cause the formation of numerous shrinkage porosity areas, which has an impact on the reduction in mechanical properties (reduction in UTS and YS by approx. 16% and elongation by approx. 18%, compared to the AlSi10MnMg alloy with 50% scrap content). It was found that the increase in the share of recycled scrap (from 50 to 75%) can be used only when the manganese content is increased. Its effect is to change the morphology of the β-Al5FeSi phase into α-Al15(Fe,Mn)3Si2, whose crystallization occurs in the temperature range of 540 to 555 °C and increases slightly with increasing manganese addition. It is essential to consider the appropriate value of the Mn/Fe quotient, which should be about 1/2, because a higher value may cause the formation of a sludge factor. This work aimed to determine the limiting iron content (contained in the scrap) at which the sequence of the β-Al5FeSi phase release (pre-eutectic or primary crystallization) changes. This sequence mainly affects the form of morphology, the dimensions of the β-Fe phase, and the proportion of shrinkage porosity. Full article
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17 pages, 2741 KB  
Article
Leucophosphite and Associated Minerals in the Fossil Bat Guano Deposit in Gaura cu Muscă Cave, Locvei Mountains, Romania
by Delia-Georgeta Dumitraş and Ştefan Marincea
Minerals 2025, 15(2), 180; https://doi.org/10.3390/min15020180 - 15 Feb 2025
Cited by 2 | Viewed by 2675
Abstract
This paper presents a new account of the mineralogy of the bat guano deposit in Gaura cu Muscă Cave, Locvei Mountains, Romania. The cave, which, in its main proportion, is a wet, “live” cave, has a dry portion hosting guano. Biogenic leucophosphite is [...] Read more.
This paper presents a new account of the mineralogy of the bat guano deposit in Gaura cu Muscă Cave, Locvei Mountains, Romania. The cave, which, in its main proportion, is a wet, “live” cave, has a dry portion hosting guano. Biogenic leucophosphite is one of the main compounds of the fossil bat guano association in the cave, where it occurs together with hydroxylapatite, taranakite, ardealite, calcite, quartz and illite (the 2M1 polytype). The mineral species from the cave were characterized by optical methods, scanning electron microscopy, wet-chemical analysis, X-ray powder diffraction, Fourier-transform infrared and inductively coupled plasma – atomic emission spectrometry. The crystal-chemical formula of leucophosphite from Gaura cu Muscă is [K0.978Na0.003(NH4)0.014](Al0.085Fe1.903Mg0.001Mn0.006)(PO4)2(OH)0.973·2H2O. The cell parameters calculated for the same sample are a = 9.813(6) Å, b = 9.749(6) Å, c = 9.631(9) Å and β = 102.30(2)°. The infrared spectrum affords the presence of (PO4)3−, (HPO4)2−, (NH4)+ and (OH) ions, together with H2O molecules. The band multiplicity on the IR absorption spectrum suggests that the phosphate groups in the structure have Cs punctual symmetry. The host deposit was formed under extremely “dry” conditions that favored a sharp decrease in the pH of solutions derived from the guano mass. Full article
(This article belongs to the Special Issue Microbial Biomineralization and Organimineralization)
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