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Dynamic Characteristics of the Octahedral Jahn–Teller Copper Cu2+ Complex and the Octahedral Iron Fe3+ Complex in Ceruloplasmin. Electron Paramagnetic Resonance Method 铜蓝蛋白中八面体Jahn-Teller铜Cu2+配合物和八面体铁Fe3+配合物的动态特性。电子顺磁共振法
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2026-05-08 DOI: 10.1134/S1063774525601273
V. A. Shapovalov, N. V. Tokiy, T. V. Drokina, A. M. Vorotynov
{"title":"Dynamic Characteristics of the Octahedral Jahn–Teller Copper Cu2+ Complex and the Octahedral Iron Fe3+ Complex in Ceruloplasmin. Electron Paramagnetic Resonance Method","authors":"V. A. Shapovalov,&nbsp;N. V. Tokiy,&nbsp;T. V. Drokina,&nbsp;A. M. Vorotynov","doi":"10.1134/S1063774525601273","DOIUrl":"10.1134/S1063774525601273","url":null,"abstract":"<p>The electron paramagnetic resonance (EPR) spectra of copper Cu<sup>2+</sup> and iron Fe<sup>3+</sup> ions in ceruloplasmin were studied in a wide temperature range. The copper Cu<sup>2+</sup> ion was shown to be Jahn–Teller active. The EPR spectra of magnetic iron Fe<sup>3+</sup> ions consist of lines with <i>g</i> = 2.06 ± 0.01 and <i>g</i> = 4.33 ± 0.01. The dynamic characteristics of the octahedral Jahn–Teller copper complex (the height of the potential barrier of the crystal field in the nearest environment of copper <i>E</i><sub>0</sub> = 9.16 × 10<sup>–4</sup> eV) and the octahedral iron complex (<i>E</i><sub>0</sub> = 9.89 × 10<sup>–4</sup> eV) were determined from the temperature dependences of the intensities of EPR lines.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 1","pages":"67 - 72"},"PeriodicalIF":0.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829932","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
In Development of the Anti-Liquid Concept: Justification of a Quantitative Criterion 反液体概念的发展：定量标准的论证
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2026-05-08 DOI: 10.1134/S1063774525601807
D. A. Banaru, A. M. Banaru
{"title":"In Development of the Anti-Liquid Concept: Justification of a Quantitative Criterion","authors":"D. A. Banaru,&nbsp;A. M. Banaru","doi":"10.1134/S1063774525601807","DOIUrl":"10.1134/S1063774525601807","url":null,"abstract":"<p>Based on probability schemes describing the structure of the coordination sphere of a symmetrically independent structural unit in a crystal, a quantitative criterion for an anti-liquid in presented as a function of coordination number. The obtained result can be applied to problems of classifying crystal structures, including subperiodic ones, in chemical and mineralogical crystallography.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 1","pages":"7 - 11"},"PeriodicalIF":0.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829950","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 Eudialyte-Group Minerals: VII. Role of Strontium in the Framework of the P3 Structure Model of High-Silicon Oneillite Analogue from Lovosero Massif 溶液族矿物中的不对称现象：7。锶在Lovosero地块高硅Oneillite类似物P3结构模型框架中的作用
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2026-05-08 DOI: 10.1134/S1063774525600991
R. K. Rastsvetaeva, V. M. Gridchina, N. V. Chukanov, S. M. Aksenov
{"title":"Dissymmetrization in Eudialyte-Group Minerals: VII. Role of Strontium in the Framework of the P3 Structure Model of High-Silicon Oneillite Analogue from Lovosero Massif","authors":"R. K. Rastsvetaeva,&nbsp;V. M. Gridchina,&nbsp;N. V. Chukanov,&nbsp;S. M. Aksenov","doi":"10.1134/S1063774525600991","DOIUrl":"10.1134/S1063774525600991","url":null,"abstract":"<p>The crystal structure of a low-calcium representative of the eudialyte group from Lovozero (Kola Peninsula) was studied by single-crystal X-ray structural analysis in the framework of the <i>P</i>3 group, 165 positions, <i>R</i> = 5.4%, 4469 reflections with <i>F</i> &gt; 2σ(<i>F</i>). The mineral with the idealized formula Na<sub>15</sub>(Ca<sub>3</sub>Mn<sub>3</sub>)Zr<sub>3</sub>(Fe,Zr)<sub>3</sub>(Si,Ti)(Si,Nb)[Si<sub>3</sub>O<sub>9</sub>]<sub>2</sub>[Si<sub>9</sub>O<sub>27</sub>]<sub>2</sub>O<sub>2</sub>(OH,F,Cl)<sub>2</sub>·2H<sub>2</sub>O is a Sr-containing analogue of oneillite with a low niobium content and a predominance of silicon both in the <i>M</i>3 and <i>M</i>4 positions. The unit-cell parameters are <i>a</i> = 14.192(2) Å, <i>c</i> = 30.170(5) Å, <i>V</i> = 5262.74 Å<sup>3</sup>. Within the <i>P</i>3 model, in addition to the oneillite-type ring [Ca–Mn], the eudialyte ring [Ca–Ca] and the ring of the composition [Na–(Ca,Sr)] are also established. The crystallochemical role of strontium in minerals of the eudialyte group is analyzed.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 1","pages":"32 - 38"},"PeriodicalIF":0.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829954","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
X-ray Diffraction and Analytical Electron Microscopy Study of Rhombohedral and Cubic phases in Pb-Bi-doped GeTe Alloy pb - bi掺杂GeTe合金中菱形相和立方相的x射线衍射和分析电镜研究
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2026-05-08 DOI: 10.1134/S1063774525601972
E. I. Suvorova, A. G. Ivanova, N. A. Arkharova, V. V. Klechkovskaya, A. A. Shabaldin, A. T. Burkov
{"title":"X-ray Diffraction and Analytical Electron Microscopy Study of Rhombohedral and Cubic phases in Pb-Bi-doped GeTe Alloy","authors":"E. I. Suvorova,&nbsp;A. G. Ivanova,&nbsp;N. A. Arkharova,&nbsp;V. V. Klechkovskaya,&nbsp;A. A. Shabaldin,&nbsp;A. T. Burkov","doi":"10.1134/S1063774525601972","DOIUrl":"10.1134/S1063774525601972","url":null,"abstract":"<p>A study of GeTe doped with Pb and Bi (Ge<sub>0.86</sub>Pb<sub>0.1</sub>Bi<sub>0.04</sub>Te), used as a thermoelectric material, after heat treatment at 600 and 820 K demonstrates the potential and challenges of determining the chemical and phase composition of the matrix and precipitates using  X-ray diffraction and analytical electron microscopy. The main phase is rhombohedral <i>R</i>3<i>m</i> GeTe (over 90 wt %); cubic GeTe (up to 5 wt %), cubic Ge (up to 2 wt %), and trace amounts of germanium oxide have been identified. The distribution of Pb and Bi impurities in the matrix crystal and secondary phase precipitates has been determined.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 1","pages":"12 - 24"},"PeriodicalIF":0.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829953","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
Optimization of Compositions of Solid Electrolytes Na0.5–xR0.5+xF2+2x on Ionic Conductivity and Thermal Stability Na0.5-xR0.5 +xF2+2x固体电解质组成对离子电导率和热稳定性的影响
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2026-05-08 DOI: 10.1134/S1063774525601686
N. I. Sorokin
{"title":"Optimization of Compositions of Solid Electrolytes Na0.5–xR0.5+xF2+2x on Ionic Conductivity and Thermal Stability","authors":"N. I. Sorokin","doi":"10.1134/S1063774525601686","DOIUrl":"10.1134/S1063774525601686","url":null,"abstract":"<p>Optimization of the compositions of nonstoichiometric fluorite phases Na<sub>0.5–<i>x</i></sub><i>R</i><sub>0.5+<i>x</i></sub>F<sub>2+2<i>x</i></sub> and Na<sub>0.5−<i>x</i></sub>(<i>R</i>,<i>R</i>′)<sub>0.5+<i>x</i></sub>F<sub>2+2<i>x</i></sub> (<i>R</i>, <i>R</i>′ are rare-earth elements Tb−Lu, Y; 0.08 ≤ <i>x</i> ≤ 0.13) on ionic conductivity and thermal stability was performed based on temperature measurements of the electrical conductivity of single crystals in dependence of the ionic radii of rare-earth cations (<i>R</i>) and the content of <i>R</i>F<sub>3</sub> trifluorides (<i>x</i>) and a comparative analysis of the phase diagrams of condensed NaF–<i>R</i>F<sub>3</sub> systems. It has been shown that the ionic conductivity (at 500 K) of 15 out of 27 studied compositions of Na<sub>0.5−<i>x</i></sub><i>R</i><sub>0.5+<i>x</i></sub>F<sub>2+2<i>x</i></sub> and Na<sub>0.5−<i>x</i></sub>(<i>R</i>,<i>R</i>′)<sub>0.5+<i>x</i></sub>F<sub>2+2<i>x</i></sub> solid solutions exceeds the conventional limit of 10<sup>−5</sup> S/cm, below which the use of solid electrolytes in electrochemical devices is considered undesirable because of insufficient electrical conductivity. The fluorite phase Na<sub>0.5–<i>x</i></sub>Lu<sub>0.5+<i>x</i></sub>F<sub>2+2<i>x</i></sub> has the highest thermal stability, and its composition Na<sub>0.4</sub>Lu<sub>0.6</sub>F<sub>2.2</sub> has the maximum fluorine-ion conductivity, equal to 1.4 × 10<sup>−4</sup> S/cm.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"71 1","pages":"108 - 114"},"PeriodicalIF":0.5,"publicationDate":"2026-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147829945","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
Structural Studies of the Cellulase Enzyme (CEL7465) from Fimbriimonadales Using Small-Angle X-ray Scattering 用小角x射线散射研究木霉纤维素酶CEL7465的结构
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2025-12-26 DOI: 10.1134/S1063774525601339
N. A. Smolyanova, N. S. Garaeva, E. E. K. Agboigba, A. E. Gimaletdinova, S. A. Ryabov, M. S. Glazyrin, N. V. Trachtmann, Sh. Z. Validov, A. I. Ivankov, A. V. Rogachev, G. S. Peters, M. A. Evteeva, S. V. Toshchakov, M. V. Patrushev, A. D. Nikulin, I. N. Lavrik, M. M. Yusupov, K. S. Usachev
{"title":"Structural Studies of the Cellulase Enzyme (CEL7465) from Fimbriimonadales Using Small-Angle X-ray Scattering","authors":"N. A. Smolyanova,&nbsp;N. S. Garaeva,&nbsp;E. E. K. Agboigba,&nbsp;A. E. Gimaletdinova,&nbsp;S. A. Ryabov,&nbsp;M. S. Glazyrin,&nbsp;N. V. Trachtmann,&nbsp;Sh. Z. Validov,&nbsp;A. I. Ivankov,&nbsp;A. V. Rogachev,&nbsp;G. S. Peters,&nbsp;M. A. Evteeva,&nbsp;S. V. Toshchakov,&nbsp;M. V. Patrushev,&nbsp;A. D. Nikulin,&nbsp;I. N. Lavrik,&nbsp;M. M. Yusupov,&nbsp;K. S. Usachev","doi":"10.1134/S1063774525601339","DOIUrl":"10.1134/S1063774525601339","url":null,"abstract":"<p>The effectiveness of biotechnological processes depends on the stability of the enzymes used in them, including their temperature stability, stability in high salt concentrations, and stability at extreme pH values. This is especially important for enzymes used in the food, paper, textile, and chemical industries, such as pectinases, cellulases, and alpha-amylases. The most sought-after enzyme in many biotechnological processes is cellulase, which has led to its widespread use and rapid spread on the global market. The structural features of a new thermostable cellulase, Cel7465, isolated from a thermal spring in the Republic of North Ossetia-Alania were investigated. Through comparative analysis of the <i>cel</i>7465 gene sequence against known nucleotide sequence databases, we were able to assign this gene to a non-cultivable microorganism belonging to the <i>Fimbriimonadales</i> order. The system of expression and purification of recombinant Cel7465 protein was optimized. The small-angle X-ray scattering method was used to investigate the structural features of the enzyme.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1145 - 1152"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824350","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
Anisotropic Crystal Lattice Deformation During the BCC → HCP Phase Transition BCC→HCP相变过程中的各向异性晶格变形
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2025-12-26 DOI: 10.1134/S1063774525601418
P. N. Medvedev, P. L. Zhuravleva, M. G. Razmahov
{"title":"Anisotropic Crystal Lattice Deformation During the BCC → HCP Phase Transition","authors":"P. N. Medvedev,&nbsp;P. L. Zhuravleva,&nbsp;M. G. Razmahov","doi":"10.1134/S1063774525601418","DOIUrl":"10.1134/S1063774525601418","url":null,"abstract":"<p>A model of the bcc → hcp phase transition has been built, in which the {112} crystallographic planes shift in the 〈111〉 and 〈112〉 directions. The shift in the 〈112〉 direction leads to contraction, while the shift in the 〈111〉 direction causes pure shear. Numerical values of the deformation anisotropy during the phase transformation have been obtained. High-temperature X-ray diffraction and dilatometry data have been obtained to estimate the strain during the bcc → hcp phase transition in VT1-0, VT6, and VT41 titanium alloy samples.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1153 - 1159"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824372","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
To the Question of Hydrodynamic Instability of Nematics in a Magnetic Field: IV. Model of Domain Structure for a Nematic in a Magnetic Field of Arbitrary Orientation with Respect to the Director 关于向列矢量在磁场中的流体动力不稳定性问题：IV.任意方向磁场中向列矢量的域结构模型
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2025-12-26 DOI: 10.1134/S1063774525600024
A. V. Golovanov
{"title":"To the Question of Hydrodynamic Instability of Nematics in a Magnetic Field: IV. Model of Domain Structure for a Nematic in a Magnetic Field of Arbitrary Orientation with Respect to the Director","authors":"A. V. Golovanov","doi":"10.1134/S1063774525600024","DOIUrl":"10.1134/S1063774525600024","url":null,"abstract":"<p>A model of magnetohydrodynamic domains is proposed. It describes the motion of a nematic fluid with negative diamagnetic susceptibility in the geometry of transverse bending deformation, when an arbitrary angle is specified between the initial orientation of the director and the magnetic field strength vector. The modeling results are compared with experimental data on the observation of the domain structure in a lyotropic nematic under the above-described condition.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1189 - 1193"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824375","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 Spatial Distribution of Excess Arsenic in an LT-GaAs Layer by Rocking Curve Imaging 用摇摆曲线成像研究LT-GaAs层中过量砷的空间分布
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2025-12-26 DOI: 10.1134/S1063774525601352
V. I. Akkuratov, S. A. Nomoev
{"title":"Investigation of the Spatial Distribution of Excess Arsenic in an LT-GaAs Layer by Rocking Curve Imaging","authors":"V. I. Akkuratov,&nbsp;S. A. Nomoev","doi":"10.1134/S1063774525601352","DOIUrl":"10.1134/S1063774525601352","url":null,"abstract":"<p>Rocking curve imaging has been used for the first time to plot maps of excess arsenic spatial concentration in the LT-GaAs layer in a GaAs/AlAs/AlGaAs/LT-GaAs(100) heterostructure, grown by molecular-beam epitaxy. An area detector with a matrix size of 14 × 14 mm and a resolution of 55 µm was used to localize regions with different concentrations of excess As atoms: from 0.86 × 10<sup>20</sup> to 0.96 × 10<sup>20</sup> cm<sup>–3</sup>. The concentration of excess arsenic was determined by analyzing the difference in the angular positions of the diffraction peaks from the GaAs substrate and the LT-GaAs layer, which is due to the increase in the unit-cell parameter, caused by incorporation of arsenic atoms into gallium sites (As<sub>Ga</sub>).</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1065 - 1069"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824376","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
Growth of Large Cd3As2 Single Crystals Using the Vertical Version of the Chemical Transport Reaction Method 利用化学传递法的垂直版本生长Cd3As2大单晶
IF 0.5 4区 材料科学
Crystallography Reports Pub Date : 2025-12-26 DOI: 10.1134/S1063774525600309
Yu. B. Nechushkin, A. V. Timofeev, A. I. Ril’, S. F. Marenkin
{"title":"Growth of Large Cd3As2 Single Crystals Using the Vertical Version of the Chemical Transport Reaction Method","authors":"Yu. B. Nechushkin,&nbsp;A. V. Timofeev,&nbsp;A. I. Ril’,&nbsp;S. F. Marenkin","doi":"10.1134/S1063774525600309","DOIUrl":"10.1134/S1063774525600309","url":null,"abstract":"<p>Needle-like, plate-like, and bulk Cd<sub>3</sub>As<sub>2</sub> crystals with record values of weight and sizes have been grown by the chemical transport reaction method using vertical mass transfer. The mass transfer and growth rate were calculated based on the data on the partial vapor pressures of Cd and As<sub>4</sub> in order to optimize the growth conditions. Identification and monitoring of the structural quality of crystals were performed using a complex of methods of physicochemical analysis, including X-ray phase analysis, as well as atomic-force, optical, and electron microscopy.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"70 7","pages":"1089 - 1095"},"PeriodicalIF":0.5,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145824379","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
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