{"title":"Solvent-mediated control of ZIF-8 morphology, crystallinity, and yield: Insights from methanol-water synthesis","authors":"Cristina Sanchez Cereceda, Yuncheng Du","doi":"10.1016/j.jssc.2025.125787","DOIUrl":"10.1016/j.jssc.2025.125787","url":null,"abstract":"<div><div>Controlling solvent composition provides an effective strategy to tune the structural and functional characteristics of metal–organic frameworks (MOFs). This study systematically investigates the effect of methanol–water mixtures on zeolitic imidazolate framework-8 (ZIF-8) synthesis to elucidate solvent-mediated nucleation and growth behavior. ZIF-8 was synthesized using mixed solvent with methanol volume ratio ranging from 0 % to 100 % and characterized by several techniques including transmission electron microscopy (TEM), X-ray diffraction (XRD), nitrogen (N<sub>2</sub>) and carbon dioxide (CO<sub>2</sub>) adsorption, and thermogravimetric analysis (TGA). These results suggest complex correlations between solvent composition and particle morphology, crystallinity, porosity, and yield. Particle size decreases from ∼123 nm in water to ∼50 nm in methanol, accompanied by a transition from rounded to faceted rhombic dodecahedra. XRD analysis shows that crystallite size decreases with increasing methanol content, whereas a 50:50 methanol-water mixture produces the highest Brunauer–Emmett–Teller (BET) surface area (∼1465 m<sup>2</sup>/g) and a balanced micro-to mesoporosity. Yield calculation suggests a trade-off between productivity and structural characteristics: water-rich mixtures achieve higher yields (∼92 %), while methanol-rich conditions yield smaller, more defective crystallites but promote enhanced textural porosity. These findings suggest that co-solvent system provides a tunable physicochemical environment that governs nucleation kinetics and particle growth, establishing a rational framework for optimizing scalable, high-quality ZIF-8 production.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"355 ","pages":"Article 125787"},"PeriodicalIF":3.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jintao Xie , Junpeng Li , Yujia Xu , Zhouyan Li , Yuting Li , Mincheng Jiang , Jun Zhang , Jing Zhu
{"title":"Concentration-dependent up-conversion luminescence of whitlockite-type phosphor Sr9Y(PO4)7:Er3+","authors":"Jintao Xie , Junpeng Li , Yujia Xu , Zhouyan Li , Yuting Li , Mincheng Jiang , Jun Zhang , Jing Zhu","doi":"10.1016/j.jssc.2026.125805","DOIUrl":"10.1016/j.jssc.2026.125805","url":null,"abstract":"<div><div>Inorganic phosphors activated by Er<sup>3+</sup> activators have hold great attention owing to unique up/down-conversion luminescence. In this work, a series of Er<sup>3+</sup>-activated whitlockite-type Sr<sub>9</sub>Y(PO<sub>4</sub>)<sub>7</sub> (SYPO) phosphate phosphors were developed by soli-state reaction. Er<sup>3+</sup> activators are solidly dissolved into the SYPO host through occupying the Y<sup>3+</sup> crystalline sites. The optimal doping concentration for achieving maximum up-conversion luminescence from Er<sup>3+</sup> is 0.03 mol. The Er<sup>3+</sup> concentration quenching comes from electric dipole-quadrupole interaction. Excited by a 980 nm laser, the intensity of the red- and green-emitting components varies distinctly with the Er<sup>3+</sup> concentration, producing tunable emission colors from green to orange-red. Furthermore, the up-conversion emission mechanism is investigated and elucidated. The findings offer valuable insight on the luminescence behavior of Er<sup>3+</sup> in whitlockite-type phosphate hosts.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"355 ","pages":"Article 125805"},"PeriodicalIF":3.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Green synthesis of the tris(β-keto-hydrazo)-cyclohexane-based porous organic polymers applied for fluorescence sensing 2,4-dinitrophenol","authors":"Tong-Mou Geng, Yun-Long Gui, Heng Xu, Yuan-Yuan Jiao","doi":"10.1016/j.jssc.2025.125788","DOIUrl":"10.1016/j.jssc.2025.125788","url":null,"abstract":"<div><div>The tris(β-keto-hydrazo)-cyclohexane-based porous organic polymers (the TKH-POPs) are a novel type of POPs that can be prepared in 0–5 °C aqueous solution through simple diazo-coupling isomerization reaction. Their synthetic strategy is mild and green, without metal catalyst and high temperature. Nevertheless, there are only a few reports about their application as fluorescent sensors to date. In this study, using anhydrous phloroglucinol, 4,4′-ethylenedianiline, and 4,4′-azodianiline as the aromatic building blocks, we successfully synthesized two novel TKH-POPs ——PEDAN and PHZDA. Spectroscopic analysis proved that their structures are tris(β-keto-hydrazo)-cyclohexane tautomers instead of the azo tautomerides. PEDAN and PHZDA have large BET specific areas of 1441 and 957 m<sup>2</sup> g<strong><sup>−</sup></strong><sup>1</sup> and can sense 2,4-dinitrophenol (DNP) with high sensitivity by fluorescence. The quenching constants (K<sub>SV</sub>) of PEDAN and PHZDA for DNP are severally 3.40 × 10<sup>4</sup> and 9.13 × 10<sup>4</sup> L mol<sup>−1</sup>. The fluorescent quenching mechanisms of PEDAN and PHZDA by DNP comprise photo-induced electron-transfer process, resonance energy transfer process, absorption competition quenching mechanism, inter filtration effect, and hydrogen bonding interactions.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"355 ","pages":"Article 125788"},"PeriodicalIF":3.5,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Nanoarchitectonics of waste rice derived SiO2@Activated carbon composite for high-performance adsorptive removal of CO2 and cationic dyes","authors":"Rachita Newar , Nasrin Sultana , Arabinda Baruah","doi":"10.1016/j.jssc.2025.125733","DOIUrl":"10.1016/j.jssc.2025.125733","url":null,"abstract":"<div><div>The uncontrolled release of CO<sub>2</sub> gas and synthetic dyes severely threatens environmental quality, demanding the need for sustainable remediation strategies. Activated carbon (AC), distinguished by its high surface area, abundant active sites, and robust structural stability, demonstrates excellent capacity for adsorbing CO<sub>2</sub> and dye molecules. In this study, a novel silica-impregnated activated carbon (SiO<sub>2</sub>@AC) composite was synthesized from waste rice (WR) via synergistic chemical activation using Na<sub>2</sub>CO<sub>3</sub> and KOH. The composite exhibited a high surface area of ∼400 m<sup>2</sup>/g with uniform microporous structure (average pore size of 1.71 nm), as confirmed by XPS, PXRD, FTIR, SEM, EDAX, RAMAN and BET analyses. CO<sub>2</sub> adsorption capacity reached 72 cm<sup>3</sup>/g at 280 K and 1 bar, with negative ΔH<sub>ads</sub> values ranging from 83.51 to 1.48 kJ/mol, indicating physisorption. Dye adsorption experiments revealed maximum capacities of 66.04 mg/g for crystal violet (CV) and 78.23 mg/g for methylene blue (MB), fitting well with the Langmuir isotherm model for CV and the Temkin isotherm model for MB. Kinetic analyses confirmed a predominantly physisorption-driven mechanism with weak chemical interactions for both CV and MB. Collectively, these findings demonstrate that rice-waste-derived SiO<sub>2</sub>@AC is a multifunctional, sustainable adsorbent, aligning with circular economy principles by valorizing agricultural residues for environmental remediation.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125733"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis, crystal structure, and optical property of La2Cl3[SbS3]","authors":"Hua-Jun Zhao","doi":"10.1016/j.jssc.2025.125746","DOIUrl":"10.1016/j.jssc.2025.125746","url":null,"abstract":"<div><div>The thioantimonate hosted by La/Cl 3D cationic framework, namely La<sub>2</sub>Cl<sub>3</sub>[SbS<sub>3</sub>] has been prepared by conventional solid-state reactions. It crystallizes in space group <em>Pnma</em> (No. 62) with <em>a</em> = 7.779(3) Å, <em>b</em> = 12.893(5) Å, <em>c</em> = 8.905(4) Å, <em>V</em> = 893.2(6) Å<sup>3</sup> and Z = 4. Its composite framework is made up of two sublattices of [La<sub>2</sub>Cl<sub>3</sub>]<sup>3+</sup> 3D cationic network and covalent SbS<sub>3</sub> molecular anions. The 3D [La<sub>2</sub>Cl<sub>3</sub>]<sup>3+</sup> are formed by the 2D layers of edge- and corner-shared Cl1La<sub>3</sub> trigonal pyramids propagating in (010) plane and “v’’ shaped Cl2La<sub>2</sub> units via corner-sharing. The isolated SbS<sub>3</sub> trigonal-pyramidal units are arranged in (010) plane and sandwiched by the 2D layers of Cl1La<sub>3</sub> trigonal pyramids. Moreover, the optical gap of 1.93 eV for La<sub>2</sub>Cl<sub>3</sub>[SbS<sub>3</sub>] was derived, showing a red shift with respect to that of La<sub>3</sub>S<sub>2</sub>Cl<sub>2</sub>[SbS<sub>3</sub>], [La<sub>2</sub>SCl<sub>2</sub>][La<sub>3</sub>S<sub>2</sub>Cl][SbS<sub>3</sub>]<sub>2</sub>, and La<sub>3</sub>OSCl<sub>2</sub>[SbS<sub>3</sub>], which can be attributed to its lower La/Sb ratios.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125746"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614991","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Feixiang Yang , Boyu Xiao , Wenliang Wu , Chenglan Huang , Junxiang Ding , Bingyan Qu , Lei Wang
{"title":"Development of novel red broadband luminescent materials based on tetrahedrally coordinated Fe3+ activated LiAlSiO4 and LiGaSiO4 for multifunctional pc-LEDs","authors":"Feixiang Yang , Boyu Xiao , Wenliang Wu , Chenglan Huang , Junxiang Ding , Bingyan Qu , Lei Wang","doi":"10.1016/j.jssc.2025.125729","DOIUrl":"10.1016/j.jssc.2025.125729","url":null,"abstract":"<div><div>The development of non-toxic, highly biocompatible, and eco-friendly red-emitting materials, with emission spectra matching plant pigment absorption (notably phytochrome red, Pr, and phytochrome far-red, Pfr), is highly promising for plant cultivation applications. In this work, a series of Fe-doped LiAlSiO<sub>4</sub> and LiGaSiO<sub>4</sub> luminescent materials were successfully synthesized. Under excitation at 297 nm, LiAlSiO<sub>4</sub>:Fe<sup>3+</sup> shows a broad red emission band ranging from 600 to 805 nm with a peak at 670 nm. Similarly, LiGaSiO<sub>4</sub>:Fe<sup>3+</sup> exhibits a broad emission from 600 to 890 nm, peaking at 707 nm when excited at 285 nm. Both materials demonstrate good thermal stability at elevated temperatures. Notably, their emission spectra align well with the absorption spectra of Pr and Pfr, indicating strong potential for use in plant growth lighting systems. This work offers new perspectives for designing novel red-emitting luminescent materials.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125729"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ruofei Tang , Yujun Wei , Qiujing Wu , Heng Wang , Jun Qin , Daojiang Gao
{"title":"LixNa1-xEu(MoO4)2 (0≤x≤1.0) solid solution red phosphors: Microstructure evolution, controlled synthesis, and the enhanced luminescence properties","authors":"Ruofei Tang , Yujun Wei , Qiujing Wu , Heng Wang , Jun Qin , Daojiang Gao","doi":"10.1016/j.jssc.2025.125710","DOIUrl":"10.1016/j.jssc.2025.125710","url":null,"abstract":"<div><div>Luminescent materials play an irreplaceable role in fields such as energy-saving lighting and biosensing, yet existing materials suffer from issues like low efficiency or poor stability. This study aims to enhance the luminescent performance and thermal stability by optimizing the material structure and preparation process to meet the demands of practical applications. Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> (0≤x≤1.0) solid solution phosphors were designed and successfully synthesized using the traditional solid-phase method. By adjusting the calcination temperature, Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> microcrystals with a pure tetragonal structure and controllable microstructures (morphology and size) were obtained. It is found that the optimal sintering conditions of the Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> samples with x = 0, 0.1, and 0.3 are 1000 °C and 4 h, while that for the Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> samples with x = 0.5, 0.7, 0.9, and 1.0 are 900 °C and 4 h. Under the respective optimal sintering conditions, all the obtained Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> samples are octahedral microcrystals with an average grain size of approximately 5.0 μm. The cell volume and parameters of the Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> phosphors decrease gradually with increasing Li<sup>+</sup> concentration. All Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> phosphors exhibit strong red emission at 615 nm under 393 nm near-ultraviolet (NUV) excitation, with CCTs ranging from 2236 to 2384 K. The Li<sub>0.1</sub>Na<sub>0.9</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> phosphor displays the best luminescence properties and superior thermal stability. Our results suggest that the as-synthesized Li<sub>x</sub>Na<sub>1-x</sub>Eu(MoO<sub>4</sub>)<sub>2</sub> (0≤x≤1.0) microcrystals are promising warm red phosphors, exhibiting significant potential for applications in the lighting and display fields.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125710"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhihao Wang , Zhanshou Wang , Honglei Han , Guohua Shi , Qiyong Zhao , Shaohua Wu , Hongli Zhao
{"title":"Tailoring the properties of SnSe2 thin films via atmospheric pressure CVD: Growth and characterization","authors":"Zhihao Wang , Zhanshou Wang , Honglei Han , Guohua Shi , Qiyong Zhao , Shaohua Wu , Hongli Zhao","doi":"10.1016/j.jssc.2025.125727","DOIUrl":"10.1016/j.jssc.2025.125727","url":null,"abstract":"<div><div>This study reports a facile and cost-effective atmospheric pressure CVD method for synthesizing high-quality SnSe<sub>2</sub> thin films. Utilizing readily available SnCl<sub>2</sub> and Se powder precursors, this method enables the growth of highly crystalline (98.56 %) SnSe<sub>2</sub> films with a strong (00l) preferred orientation on glass substrates. The resulting films exhibit a direct band gap of 1.51 eV, as determined by optical measurements. This simplified CVD approach presents a promising route for the large-scale production of SnSe<sub>2</sub> thin films, with potential applications in optoelectronic devices.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125727"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145464305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jie Duan , Yang Wang , Wei-Li Zhai , Xian Wang , Zhou-Cao Ye , Qing Li , Wei Zhu
{"title":"A novel Tb@Zr-MOF photochemical probe via anchoring Tb3+ onto a luminescent Zr-MOF platform for highly efficient ratio fluorescence sensing of Cr(VI) ions","authors":"Jie Duan , Yang Wang , Wei-Li Zhai , Xian Wang , Zhou-Cao Ye , Qing Li , Wei Zhu","doi":"10.1016/j.jssc.2025.125734","DOIUrl":"10.1016/j.jssc.2025.125734","url":null,"abstract":"<div><div>The monitoring of Cr(VI) ions presents extremely high standards in the hydrolysis/acid-base stability, detection sensitivity, anti-interference capability and accuracy of MOFs-based probes. Immobilization of rare earth ions (Ln<sup>3+</sup>) onto a stable luminescent Zr-MOF for dual fluorescence signals offered organic modules and Ln<sup>3+</sup> sites, constitutes a feasible yet challenging strategy for efficient ratio fluorescence detection of Cr(VI). Herein, a novel Tb@Zr-MOF with dual emission signals (I<sub>391</sub>, I<sub>426</sub> from Zr-MOF, I<sub>490</sub>, I<sub>546</sub>, I<sub>586</sub>, I<sub>622</sub> from Tb<sup>3+</sup>) was fabricated by anchoring Tb<sup>3+</sup> ions into a Zr-MOF inherently possesses bright blue fluorescence, utilizing the principles of antenna effect and photo-induced electron transfer (PET). Subsequently, it was deployed for effectively identification and quantitative detection of Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> and CrO<sub>4</sub><sup>2−</sup> analytes, utilizing the stable intensity ratio relationship of fluorescence signals (I<sub>391</sub>–I<sub>546</sub>) originated from Zr-MOF (I<sub>391</sub>) and Tb<sup>3+</sup> (I<sub>546</sub>). Notably, the detection accuracy for Cr(VI) ions has been significantly improved due to the inherent cooperative quenching response mechanism associated with its dual fluorescence emission centers. It was determined that Tb@Zr-MOF exhibited a highly sensitive response towards both Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup> and CrO<sub>4</sub><sup>2−</sup>, achieving fairly low detection limits (DL) of 6.77 ppb and 4.74 ppb, and the corresponding notably high quenching constants (K<sub>sv</sub>) of 3.95 × 10<sup>5</sup> M<sup>−1</sup> and 7.91 × 10<sup>4</sup> M<sup>−1</sup>, respectively. More ingeniously, even within an aqueous environment containing complex cations and anions or acidic and basic components (pH = 2–13), it still exhibited a reliable fluorescence quenching response towards the target analytes. This study offers a highly viable reference for the design of innovative and efficient ratio fluorescence responsive typed MOFs-based photochemical sensors.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125734"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Neutron diffraction study of ScFe2Dx compounds","authors":"S. El Bidaoui , L.V.B. Diop , O. Isnard","doi":"10.1016/j.jssc.2025.125754","DOIUrl":"10.1016/j.jssc.2025.125754","url":null,"abstract":"<div><div>The crystal and magnetic structures of ScFe<sub>2</sub> and its deuteride ScFe<sub>2</sub>D<sub>3.2</sub> have been investigated by neutron powder diffraction. The C14 hexagonal MgZn<sub>2</sub>-type crystal structure of the initial alloy ScFe<sub>2</sub> is maintained upon the insertion of 3.2 D/f.u. Deuterium localization within the crystal lattice reveals occupancy of four tetrahedral interstitial sites, each coordinated by two Sc and two Fe atoms. Among these, the 6<em>h</em><sub>2</sub> and 12<em>k</em><sub>1</sub> sites are filled at 77 % and 27 % respectively, while the 24<em>l</em> and 6<em>h</em><sub>1</sub> are less than 20 % occupy. The magnetic moment magnitudes have been determined for the two inequivalent Fe sites (2<em>a</em> and 6<em>h</em>) using Rietveld analysis of the magnetic structure; both increase with deuterium insertion. It is found that the magnetic moment orientation at low temperature changes upon deuterium absorption. For ScFe<sub>2</sub>, the Fe magnetic moments are aligned at an angle of 30° with respect of the <em>c</em>-axis, whereas for ScFe<sub>2</sub>D<sub>3.2</sub> they lie within the basal plane of the hexagonal structure. We also report the thermal evolution of the lattice parameters for both compounds over the temperature range of 2 K–300 K. ScFe<sub>2</sub> exhibits typical thermal expansion behavior bellow 300 K, while ScFe<sub>2</sub>D<sub>3.2</sub> displays unusual lattice parameters variations with temperature.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"354 ","pages":"Article 125754"},"PeriodicalIF":3.5,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614492","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}