Zeitschrift Fur Kristallographie-Crystalline Materials最新文献_第4页

Synthesis and crystal structure of two novel polymorphs of (NaCl)[Cu(HSeO3)2]: a further contribution to the family of layered copper hydrogen selenites 两种新型多晶型（NaCl）[Cu（HSeO3）2]的合成和晶体结构：对层状亚硒酸氢铜家族的进一步贡献

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-03-30 DOI: 10.1515/zkri-2023-0004

V. Grishaev, O. Siidra, Mishel R. Markovski, D. Charkin, Timofey A. Omelchenko, Evgenii V. Nazarchuk

{"title":"Synthesis and crystal structure of two novel polymorphs of (NaCl)[Cu(HSeO3)2]: a further contribution to the family of layered copper hydrogen selenites","authors":"V. Grishaev, O. Siidra, Mishel R. Markovski, D. Charkin, Timofey A. Omelchenko, Evgenii V. Nazarchuk","doi":"10.1515/zkri-2023-0004","DOIUrl":"https://doi.org/10.1515/zkri-2023-0004","url":null,"abstract":"Abstract Crystals of two new polymorphic forms of the known compound (NaCl)[Cu(HSeO3)2], which we term polymorphs II and III, were formed after a ca. one-year dwelling of a crystalline precipitate under mother liquor and upon crystallization in the presence of K+, respectively. Both structures belong to the “layered copper hydroselenite” family. The polymorph II is a structural analog of (KCl)[Cu(HSeO3)2] with a fully ordered Na+ site; the main difference concerns the environment of Cu2+ which is more regular in (NaCl)[Cu(HSeO3)2]-II. In contrast to some expectations, crystallization from solutions containing KCl. NaCl, CuCl2, and H2SeO3 upon evaporation does not result in formation of mixed (Na1−xK x Cl)[Cu(HSeO3)2] crystals, but rather in a separate crystallization of (KCl)[Cu(HSeO3)2] and (NaCl)[Cu(HSeO3)2]-III which exhibits a complex structure with four ordered and one disordered Na+ sites. It is possible that longer crystallization times enhance formation of ordered structures.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"238 1","pages":"177 - 185"},"PeriodicalIF":1.2,"publicationDate":"2023-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47179143","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: 2

Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO3)2 with M = Mn, Fe, Co and Ni M=Mn、Fe、Co和Ni的白云石型MSn（BO3）2的合成、结构和光谱研究

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-03-27 DOI: 10.1515/zkri-2023-0002

S. Wittmann, M. Murshed, V. Bilovol, T. Gesing

{"title":"Synthesis, structural and spectroscopic investigations of dolomite-type MSn(BO3)2 with M = Mn, Fe, Co and Ni","authors":"S. Wittmann, M. Murshed, V. Bilovol, T. Gesing","doi":"10.1515/zkri-2023-0002","DOIUrl":"https://doi.org/10.1515/zkri-2023-0002","url":null,"abstract":"Abstract Dolomite-type MSn(BO3)2 phases for M = Mn, Fe, Co and Ni have been synthesized using solid-state synthesis carried out in sealed quartz tubes. X-ray powder diffraction data Rietveld refinements confirm the rhombohedral space group R 3 ‾ $Roverline{3}$ for all compositions. The change in unit-cell parameters follows the increasing nature of the radius of the M-cations. Both the MO6 and SnO6 octahedra are found to be quite regular. 119Sn Mössbauer spectroscopy investigations complement the almost undistorted nature of the SnO6 octahedra and the tetra-valent charge of the tin-atoms. Detailed vibrational features are described from the Raman and the FTIR spectral data collected at ambient conditions. The frequency shifts of some selective Raman and IR bands are explained in terms of the change of cationic sizes and the respective M–O bond distances. The UV/Vis diffuse reflectance data are analyzed using the RATD method, leading to direct bandgaps for all the investigated samples. The wide bandgap semiconductors (3 – 4 eV) show increasing transition energies with increasing cation sizes of the high-spin M-cations in the dolomite types.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"238 1","pages":"167 - 175"},"PeriodicalIF":1.2,"publicationDate":"2023-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46892672","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

Crystal structures of two phases of Pigment Yellow 110 from X-ray powder diffraction data 从x射线粉末衍射数据分析颜料黄110的两相晶体结构

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-03-23 DOI: 10.1515/zkri-2023-0003

J. van de Streek, S. N. Ivashevskaya, M. Schmidt

引用次数: 0

Microporous framework polar silicate-germanates with a wide isomorphic substitution: (K2.9Cs0.1)(Sc0.7In0.3)[(Si2.95Ge0.05)O9]·H2O and (K2.16Cs0.84)Bi[(Si1.5Ge1.5)O9]·H2O 具有宽同构取代的微孔骨架极性硅酸盐锗酸盐：（K2.9Cs0.1）（Sc0.7In0.3）[（Si2.95Ge0.05O9]·H2O和（K2.16Cs0.84）Bi[（Si1.5Ge1.5）O9]·H_2O

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-03-01 DOI: 10.1515/zkri-2022-0056

A. Topnikova, E. Belokoneva, A. Volkov, O. Dimitrova, S. Stefanovich

{"title":"Microporous framework polar silicate-germanates with a wide isomorphic substitution: (K2.9Cs0.1)(Sc0.7In0.3)[(Si2.95Ge0.05)O9]·H2O and (K2.16Cs0.84)Bi[(Si1.5Ge1.5)O9]·H2O","authors":"A. Topnikova, E. Belokoneva, A. Volkov, O. Dimitrova, S. Stefanovich","doi":"10.1515/zkri-2022-0056","DOIUrl":"https://doi.org/10.1515/zkri-2022-0056","url":null,"abstract":"Abstract New silicate-germanates (K2.9Cs0.1)(Sc0.7In0.3)[(Si2.95Ge0.05)O9]·H2O and (K2.16Cs0.84)Bi[(Si0.5Ge0.5)3O9]·H2O have been synthesized in multi-component systems under mild hydrothermal conditions. The new compounds are classified as new representatives of close related K3ScSi3O9·H2O parent structure, sp. gr. Pmn21. Their structural and isomorphic peculiarities are compared with it as well as with earlier investigated K1.46Pb1.54Сa[(Ge0.23Si0.77)3O9](ОН)0.54·0.46Н2О. Together with other known compounds, silicate-germanates form the extensive family A3M[T3O9]·H2O, A = K, Cs, Ca, Pb; M = Ho, Sc, Lu, Tb, Er, Y, Bi, Pb, In; T = Si, Ge, with a mixed microporous framework combined of M-octahedra and T-tetrahedra. Large alkali metal or/and Ca, Pb cations fill broad framework channels with cross-section up to 7.3 Å. Because of wide isomorphic substitution in the channels, and in tetrahedra and octahedra, ion exchange properties in the family are expected. Due to polar symmetry, all the crystals possess second-order nonlinearity which was confirmed with positive SHG tests for four compositions. Powder SHG experiments demonstrated moderate second harmonic intensities of order of α-quartz standard signals.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"238 1","pages":"119 - 127"},"PeriodicalIF":1.2,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49663519","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

An asymmetric mononuclear cobalt(II) compound derived from 3-bromo-pyridine-2,6-dicarboxylic acid involving in-situ hydrothermal decarboxylation: structure, magnetic property and Hirshfeld surface analysis 3-溴吡啶-2,6-二羧酸原位水热脱羧制备的不对称单核钴（II）化合物：结构、磁性能和Hirshfeld表面分析

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-02-20 DOI: 10.1515/zkri-2023-0001

Jun-Xia Li, Shuai Ge, Yi-Jing Lu, Xiao-Jie Xu, Chan-Hua Liu, Shihui Li

{"title":"An asymmetric mononuclear cobalt(II) compound derived from 3-bromo-pyridine-2,6-dicarboxylic acid involving in-situ hydrothermal decarboxylation: structure, magnetic property and Hirshfeld surface analysis","authors":"Jun-Xia Li, Shuai Ge, Yi-Jing Lu, Xiao-Jie Xu, Chan-Hua Liu, Shihui Li","doi":"10.1515/zkri-2023-0001","DOIUrl":"https://doi.org/10.1515/zkri-2023-0001","url":null,"abstract":"Abstract A new cobalt(II) compound with the formula [Co(5-Br-pyc)(2,2′-bipy)(H2O)(Cl)]·2H2O (1·H2O) (5-Br-Hpyc = 5-bromo-pyridine-2-carboxylic acid, 2,2′-bipy = 2,2′-bipyridine) has been hydrothermally synthesized and well characterized. The X-ray single-crystal diffraction analysis showed that 1⋅2H2O has crystallizes in the monoclinic system, space group P21/c (no. 14). The Co(II) center was octahedrally bonded by one bidentate chelate 5-Br-pyc anion and one 2,2′-bipy, one water molecule as well as one chloride anion to form the mononuclear structure of 1⋅2H2O. Complex 1⋅2H2O forms a 3D network through abundant O–H⋅⋅⋅O hydrogen bonds and π⋅⋅⋅π stacking interactions. Notably, the 5-Br-Hpyc ligand was in situ generated by decarboxylation of the 3-bromo-pyridine-2,6-dicarboxylic acid (3-Br-H2pydc) precursor selectively on 2-position under hydrothermal conditions. The magnetic properties, the Hirshfeld surface structure and the synthetic process for 1⋅2H2O have been carefully described and discussed.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"238 1","pages":"139 - 149"},"PeriodicalIF":1.2,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45812866","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 new copper(II) complex containing triclopyr: one-pot crystallization, structure, conformation and Hirshfeld surface analyses 一种新的含三氯吡的铜（II）配合物：一锅结晶、结构、构象和Hirschfeld表面分析

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-02-13 DOI: 10.1515/zkri-2022-0063

Jun-Xia Li, Shuai Ge, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Ai-Rong Wang

{"title":"A new copper(II) complex containing triclopyr: one-pot crystallization, structure, conformation and Hirshfeld surface analyses","authors":"Jun-Xia Li, Shuai Ge, Yi-Jing Lu, Ke-Ying Quan, Li-Bing Wu, Ai-Rong Wang","doi":"10.1515/zkri-2022-0063","DOIUrl":"https://doi.org/10.1515/zkri-2022-0063","url":null,"abstract":"Abstract A new copper(II) complex [Cu(3,5,6-tcpa)(2,2′-bipy)Cl] (1) has been obtained through the one-pot hydrothermal reaction of copper chloride dihydrate with triclopyr (systematic name 2-((3,5,6-trichloropyridin-2-yl)oxy)acetic acid, abbreviation 3,5,6-Htcpa) and 2,2′-bipyridine (2,2′-bipy) coligands. 1 has crystallized in triclinic crystal system, P 1 ‾ $overline{1}$ space group. The central copper(II) ion displayed a distorted square–pyramidal geometry and was connected by one chlorido co-ligand (Clˉ), one 3,5,6-tcpa anionic chelator and one chelating 2,2’-bipy ligand to afford a mononuclear structure. 1 is further extended into a 3D network by the non-covalent interactions of H⋯Cl, H⋯O hydrogen bonds, aromatic π⋯π stacking together with Cl⋯Cl halogen bond interactions. The co-crystallization process, the crystal structure of 1 as well as the Hirshfeld surface analysis for 1 have been analyzed and described. In addition, the flexible conformation of phenoxy methylene group among 1, triclopyr acid and its previously reported co-crystallized compound also have been carefully compared and discussed.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"238 1","pages":"129 - 137"},"PeriodicalIF":1.2,"publicationDate":"2023-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48395194","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: 3

Trimorphic TaCrP – A diffraction and 31P solid state NMR spectroscopic study 三晶型TaCrP - A的衍射和31P固体核磁共振光谱研究

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-02-06 DOI: 10.1515/zkri-2022-0070

C. Paulsen, Josef Maximilian Gerdes, V. Svitlyk, M. Reimann, Alfred Rabenbauer, T. Nilges, M. Hansen, R. Pöttgen

引用次数: 0

NiAs-derived cyanamide (carbodiimide) structures – a group-theoretical view nias衍生的氰酰胺(碳二亚胺)结构-基团理论观点

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-01-26 DOI: 10.1515/zkri-2022-0062

R. Pöttgen, Alex J. Corkett, R. Dronskowski

引用次数: 0

Magnesium-rich intermetallic compounds Gd5Cu5Mg13 and Tb5Cu5Mg13 – intergrowth variants with CsCl and AlB2 related slabs 富镁金属间化合物Gd5Cu5Mg13和Tb5Cu5Mg13 -与CsCl和AlB2相关板的共生变体

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2023-01-13 DOI: 10.1515/zkri-2022-0064

M. Reimann, R. Pöttgen

{"title":"Magnesium-rich intermetallic compounds Gd5Cu5Mg13 and Tb5Cu5Mg13 – intergrowth variants with CsCl and AlB2 related slabs","authors":"M. Reimann, R. Pöttgen","doi":"10.1515/zkri-2022-0064","DOIUrl":"https://doi.org/10.1515/zkri-2022-0064","url":null,"abstract":"Abstract The magnesium-rich intermetallic compounds Gd5Cu5Mg13 and Tb5Cu5Mg13 were obtained from direct reactions of the elements (induction melting) in sealed tantalum ampoules. Both compounds crystallize with the orthorhombic Y5Cu5Mg13 type structure, space group Cmcm and Z = 4. The polycrystalline samples were characterized by powder X-ray diffraction. The structure of the gadolinium compound was refined from single crystal X-ray diffraction data: a = 414.78(2), b = 1921.87(12), c = 2573.89(16) pm, wR2 = 0.0492, 1611 F2 values and 77 variables. Refinement of the occupancy parameters revealed a small degree of Gd/Mg mixing for the Gd3 site, leading to the composition Gd4.93(1)Cu5Mg13.07(1) for the studied crystal. The Gd5Cu5Mg13 structure contains slabs of equiatomic GdCuMg, which are embedded in a magnesium matrix. From a geometrical point of view, one can describe the Gd5Cu5Mg13 and Tb5Cu5Mg13 structures as intergrowth variants of distorted W/CsCl and AlB2 related slabs. The most remarkable crystal chemical feature concerns the bcc like magnesium slabs with short Mg–Mg distances ranging from 300 to 342 pm. Temperature dependent magnetic susceptibility measurements show Curie-Weiss paramagnetism for Tb5Cu5Mg13 (10.5(1) μ B Tb atom−1 and Θ P = −11.6(1) K). Antiferromagnetic ordering was detected below the Néel temperatures of T N = 30.5(3) K.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"32 47","pages":"87 - 93"},"PeriodicalIF":1.2,"publicationDate":"2023-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41330417","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

Organic-inorganic interface chemistry for sustainable materials 可持续材料的有机-无机界面化学

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-12-22 DOI: 10.1515/zkri-2022-0054

J. Pia̧tek, Bruno V. M. Rodrigues, Adam Slabon

引用次数: 0