Crystallography Reports最新文献

Resonant Waveguide Absorption in a Cholesteric Liquid Crystal Layer Confined by ITO Electrodes 受ITO电极限制的胆甾液晶层中的谐振波导吸收

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526600067

V. V. Lazarev, I. V. Simdyankin, S. P. Palto

引用次数: 0

Single-Crystal Growth and Fluorine-Ionic Conductivity of Tysonite-type Ternary (R, R')0.95Sr0.05F2.95 (R, R' = La−Nd) Solid Electrolytes 铁长石型三元（R， R‘）0.95Sr0.05F2.95 （R， R’ = La - Nd）固体电解质的单晶生长和氟离子电导率

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526601164

D. N. Karimov, N. I. Sorokin

{"title":"Single-Crystal Growth and Fluorine-Ionic Conductivity of Tysonite-type Ternary (R, R')0.95Sr0.05F2.95 (R, R' = La−Nd) Solid Electrolytes","authors":"D. N. Karimov, N. I. Sorokin","doi":"10.1134/S1063774526601164","DOIUrl":"10.1134/S1063774526601164","url":null,"abstract":"To search for superionic fluoride materials with improved conductive properties, the qualitative composition of the rare-earth component of crystals with the tysonite-type structure (sp. gr. (Pbar {3}c1)) in the ternary systems SrF2−LaF3−NdF3 and SrF2−CeF3−PrF3 was complicated, and conductometric properties were studied. Multicomponent crystals (R, R')0.95Sr0.05F2.95 (R, R' = La−Nd) were grown from a melt by the vertical directional crystallization. Fluorine-ion conductivity σdc = 8.8 × 10−4 S/cm at 293 K is maximum for the (Ce0.5Pr0.5)0.95Sr0.05F2.95 composition, which is currently the limit value for the class of tysonite-type crystals. A comparative analysis of the ion-conducting properties of ternary (R, R')0.95Sr0.05F2.95 and binary R0.95Sr0.05F2.95 compositions was carried out. The effect of increasing ionic conductivity upon transition to ternary solid solutions (R, R')0.95Sr0.05F2.95 is confirmed and explained within the crystal-chemical model framework. The results demonstrate the potential of quantitatively increasing the complexity of the crystal chemical composition and studying multicomponent solid electrolytes in ternary (and more complex) systems for further optimization and achieving maximum room-temperature fluoride-ion conductivity values.","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 3","pages":"505 - 511"},"PeriodicalIF":0.5,"publicationDate":"2026-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148962326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Investigation of the Local Atomic Structure of Ordered Medium-entropy Perovskite PbSc1/4Fe1/4Nb1/4Ta1/4O3 by Mössbauer and XAFS Spectroscopy 有序中熵钙钛矿PbSc1/4Fe1/4Nb1/4Ta1/4O3局部原子结构的Mössbauer和XAFS光谱研究

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526600110

O. Y. Grapenko, I. G. Sheptun, A. A. Zabolotnyi, A. A. Spivakov, E. V. Khramov, A. L. Trigub, E. S. Kulikova, A. Y. Seregin, V. G. Vlasenko, V. A. Shuvaeva, I. V. Lisnevskaya, N. V. Ter-Oganessian

{"title":"Investigation of the Local Atomic Structure of Ordered Medium-entropy Perovskite PbSc1/4Fe1/4Nb1/4Ta1/4O3 by Mössbauer and XAFS Spectroscopy","authors":"O. Y. Grapenko, I. G. Sheptun, A. A. Zabolotnyi, A. A. Spivakov, E. V. Khramov, A. L. Trigub, E. S. Kulikova, A. Y. Seregin, V. G. Vlasenko, V. A. Shuvaeva, I. V. Lisnevskaya, N. V. Ter-Oganessian","doi":"10.1134/S1063774526600110","DOIUrl":"10.1134/S1063774526600110","url":null,"abstract":"The local atomic structure of the medium-entropy perovskite PbSc1/4Fe1/4Nb1/4Ta1/4O3, which exhibits local cationic ordering of the 1 : 2 type, was studied. Mössbauer spectroscopy revealed two types of Fe3+ ion environment: octahedral (FeO6, ~44%) and with a coordination number of 5 (FeO5, ~56%), indicating the presence of oxygen vacancies in the sample. Based on the analysis of XANES and EXAFS spectra of Fe-, Nb K-edges and Ta-, Pb L3-absorption edges, it has been found that Nb5+ and Ta5+ ions occupy relatively symmetrical octahedral positions, while the Fe3+ environment exhibits significant static heterogeneity due to chemical disorder and defects. Based on the obtained results, a model of the structure of medium-entropy perovskite PbSc1/4Fe1/4Nb1/4Ta1/4O3 has been proposed, in which the global cubic symmetry coexists with nanoscale ordered regions of two types: enriched with trivalent (({{[{text{Pb}}(B_{{2/3}}^{{3 + }}B_{{1/3}}^{{5 + }}){{{text{O}}}_{3}}]}^{{1/3 - }}})) and pentavalent (({{[{text{Pb}}(B_{{1/3}}^{{3 + }}B_{{2/3}}^{{5 + }}){{{text{O}}}_{3}}]}^{{1/3 + }}})) cations, the charge of which is compensated by oxygen and lead vacancies, respectively.","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 3","pages":"409 - 419"},"PeriodicalIF":0.5,"publicationDate":"2026-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148962421","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electron Diffraction Study of Ga0.25In1.75S2Se and Ga0.33In1.67S2Se Crystals Ga0.25In1.75S2Se和Ga0.33In1.67S2Se晶体的电子衍射研究

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526601528

M. G. Kyazumov, S. M. Rzayeva, A. S. Avilov

引用次数: 0

Influence of Substrate Temperature on Structural Features of Thin Iron-Doped Chromium Oxide Films 衬底温度对铁掺杂氧化铬薄膜结构特性的影响

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526601334

I. A. Subbotin, A. L. Vasiliev, A. P. Nosov, A. O. Belyaeva, M. M. Borisov, O. A. Kondratev, I. N. Trunkin, K. A. Merentsova, M. A. Artemyev, S. S. Dubinin, E. M. Pashaev

引用次数: 0

Effect of Calcium Doping on the Coordination Polyhedra of PbWO4–PbMoO4 Solid Solutions 钙掺杂对PbWO4-PbMoO4固溶体配位多面体的影响

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526601267

V. B. Dudnikova, N. N. Eremin

{"title":"Effect of Calcium Doping on the Coordination Polyhedra of PbWO4–PbMoO4 Solid Solutions","authors":"V. B. Dudnikova, N. N. Eremin","doi":"10.1134/S1063774526601267","DOIUrl":"10.1134/S1063774526601267","url":null,"abstract":"The change in the local environment of ions in PbW(_{{1--x}})MoxO4 solid solutions upon additional calcium doping has been studied. Solid solutions of Pb0.825Ca0.125W(_{{1--x}})MoxO4 were simulated using the method of empirical interatomic potentials. It is shown that the addition of calcium decreases the unit-cell parameters, volume, and density. The nonlinear behavior of the unit-cell parameter c and volume in dependence of the molybdenum content disappears. Otherwise, the nature of the dependences on the molybdenum content remains: the parameter a and density decrease, while the parameter c and volume increase. With the addition of calcium, the average size of PbO8 polyhedra decreases, while that of MoO4 and WO4 tetrahedra increases. At the same time, the trend in the variation of the polyhedra with increasing molybdenum fraction persists: PbO8 polyhedra increase, while MoO4 and WO4 tetrahedra decrease. In all polyhedra, the difference in interatomic distances increases, indicating their distortion, which may contribute to improving the properties of the material.","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 3","pages":"352 - 359"},"PeriodicalIF":0.5,"publicationDate":"2026-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148962206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Study of the Defect Structure of Ca3TaGa3Si2O14 Single Crystal Using X-Ray Diffraction Methods 用x射线衍射法研究Ca3TaGa3Si2O14单晶缺陷结构

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774525602023

A. A. Mololkin, A. G. Kulikov, B. A. Abduragimov, O. A. Buzanov, A. N. Zabelin

引用次数: 0

Growth of Single Crystals and Ionic Conductivity of Fluorite-type Solid Solution in the CaF2−SrF2−BaF2−LaF3 System CaF2 - SrF2 - BaF2 - LaF3体系中萤石型固溶体的单晶生长和离子电导率

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S106377452660136X

I. I. Buchinskaya, N. I. Sorokin

{"title":"Growth of Single Crystals and Ionic Conductivity of Fluorite-type Solid Solution in the CaF2−SrF2−BaF2−LaF3 System","authors":"I. I. Buchinskaya, N. I. Sorokin","doi":"10.1134/S106377452660136X","DOIUrl":"10.1134/S106377452660136X","url":null,"abstract":"Single crystals of a multicomponent solid solution with the fluorite-type structure in the quaternary system CaF2−SrF2−BaF2−LaF3 were grown by the vertical directional crystallization (Bridgman) technique in a fluorinating atmosphere of He + CF4. Their ionic conductivity was studied using impedance spectroscopy. The LaF3 concentration in the (Ca, Sr, Ba)(_{{1 - x}})LaxF(_{{2 + x}}) crystals varied from 10 to 30 mol %, the lattice parameters ranged from 5.838 to 5.925 Å. Electrophysical measurements were performed in the temperature range from 455 to 806 K in the cooling mode. The values of ionic conductivity and ion transport activation enthalpy for the samples are in the ranges of 1.4 × 10−6–1.9 × 10−5 S/cm (500 K) and 0.725–0.905 eV, respectively. A comparative analysis of the ion-conducting properties of two-, three-, and four-component fluorite solid solutions based on MF2 (M = Ca, Sr, Ba) and LaF3 was carried out. Substitution of Sr2+ and Ba2+ with Ca2+ cations in the crystal lattice increases the ion transport activation enthalpy and reduces the ionic conductivity of the fluorite solid solution.","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 3","pages":"498 - 504"},"PeriodicalIF":0.5,"publicationDate":"2026-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148962205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Neutron Diffraction Study of Cs3(HSO4)2(H2PO4) Crystals As a Representative of the CsHSO4–CsH2PO4 System: Atomic and Real Structure 作为CsHSO4-CsH2PO4体系代表的Cs3(HSO4)2（H2PO4）晶体的中子衍射研究：原子结构和实际结构

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774526601450

I. P. Makarova, N. N. Isakova, A. I. Kalyukanov, R. V. Gainutdinov, A. L. Tolstikhina, V. A. Komornikov

{"title":"Neutron Diffraction Study of Cs3(HSO4)2(H2PO4) Crystals As a Representative of the CsHSO4–CsH2PO4 System: Atomic and Real Structure","authors":"I. P. Makarova, N. N. Isakova, A. I. Kalyukanov, R. V. Gainutdinov, A. L. Tolstikhina, V. A. Komornikov","doi":"10.1134/S1063774526601450","DOIUrl":"10.1134/S1063774526601450","url":null,"abstract":"Superprotonic crystals Cs3(HSO4)2(H2PO4), grown in the water-salt system CsHSO4–CsH2PO4–H2O, have been studied using neutron diffraction methods at the MOND station (National Research Centre “Kurchatov Institute”). Experimental diffraction data were obtained, structural parameters were refined, hydrogen atoms were localized with high accuracy. The presence of three types of hydrogen bonds in the crystal structure was shown: characterized by a double-minimum potential curve between SO4 and PO4 tetrahedra; with a symmetrical double-minimum potential curve between PO4 tetrahedra; and, unlike the initial compounds of the system, dynamically disordered bonds between SO4 tetrahedra already at room temperature. Using atomic force microscopy, the correlation of the growth surface structure of single crystals with the atomic structure and the hydrogen bond system has been established.","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 3","pages":"376 - 387"},"PeriodicalIF":0.5,"publicationDate":"2026-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148962218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dissymmetrization in Labuntsovite-Group Minerals. II: Refined Pm-Model of the Lemmleinite-Ba Crystal Structure labuntsote - group矿物中的不对称现象。lemmleite - ba晶体结构的精细pm模型

IF 0.5 4区材料科学

Crystallography Reports Pub Date : 2026-09-14 DOI: 10.1134/S1063774525602011

R. K. Rastsvetaeva, V. M. Gridchina, N. V. Chukanov, S. M. Aksenov

引用次数: 0