Structure of Gd0.95Bi0.05Fe3(BO3)4 single crystals at 293 and 90 K

Smirnova, Ekaterina S.; Алексеева, О. А.; Dudka, A. P.; Верин, И. А.; Артемов, В. В.; Безматерных, Л. Н.; Гудим, И. А.; Фролов, К. В.; Lyubutin, I. S.

doi:10.1134/s1063774516040192

Cited by 10 publications

(19 citation statements)

References 21 publications

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“…So far, using energy-dispersive X-ray spectroscopy (EDX), we observed the entry of Bi dopant atoms into the chemical composition of the gadolinium (Smirnova et al, 2016) and yttrium (Smirnova et al, 2018) iron borates grown using Bi 2 Mo 3 O 12 -based flux. The bismuth atoms share a crystallographic site with rare-earth atoms.…”

Section: Introductionmentioning

confidence: 99%

Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Smirnova

Алексеева

Dudka

et al. 2019

Acta Crystallogr B Struct Sci Cryst Eng Mater

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An accurate single‐crystal X‐ray diffraction study of bismuth‐containing HoFe3(BO3)4 between 11 and 500 K has revealed structural phase transition at Tstr = 365 K. The Bi atoms enter the composition from Bi2Mo3O12‐based flux during crystal growth and significantly affect Tstr. The content of Bi was estimated by two independent methods, establishing the composition as (Ho0.96Bi0.04)Fe3(BO3)4. In the low‐temperature (LT) phase below Tstr the (Ho0.96Bi0.04)Fe3(BO3)4 crystal symmetry is trigonal, of space group P3121, whereas at high temperature (HT) above 365 K the symmetry increases to space group R32. There is a sharp jump of oxygen O1 (LT) and O2 (LT) atomic displacement parameters (ADP) at Tstr. O1 and O2 ADP ellipsoids are the most elongated over 90–500 K. In space group R32 specific distances decrease steadily or do not change with decreasing temperature. In space group P3121 the distortion of the polyhedra Ho(Bi)O6, Fe1O6 and Fe2O6, B2O3 and B3O3 increases with decreasing temperature, whereas the triangles B1O3 remain almost equilateral. All BO3 triangles deviate from the ab plane with decreasing temperature. Fe–Fe distances in Fe1 chains decrease, while distances in Fe2 chains increase with decreasing temperature. The Mössbauer study confirms that the FeO6 octahedra undergo complex dynamic distortions. However, all observed distortions are rather small, and the general change in symmetry during the structural phase transition has very little influence on the local environment of iron in oxygen octahedra. The Mössbauer spectra do not distinguish two structurally different Fe1 and Fe2 positions in the LT phase. The characteristic temperatures of cation thermal vibrations were calculated using X‐ray diffraction and Mössbauer data.

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Section: Introductionmentioning

confidence: 99%

Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Smirnova

Алексеева

Dudka

et al. 2019

Acta Crystallogr B Struct Sci Cryst Eng Mater

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“…However, as was shown by the chemical and structural studies for the GdFe 3 (BO 3 ) 4 ferroborate [6], Bi 3+ ions replace the rare-earth ion in an amount up to 5 at.%, which is smaller as compared with substitution of potassium and molybdenum [5]. At that time, the lithium tungstate-based melt-solutions were proposed.…”

Section: Ral 3 (Bo 3 ) 4 and Rfe 3 (Bo 3 ) 4 Single Crystals Using Bimentioning

confidence: 98%

“…As was shown in [6], the use of the bismuth trimolybdate solvent leads to the occurrence of the Bi 3+ ion impurity in the crystal; therefore, the crystals grown from this melt-solution are hereinafter referred to as SmFe 3 ( (Fig. 2).…”

Section: The Magnetic and Magnetoelectric Propertiesmentioning

confidence: 98%

Comparing the magnetic and magnetoelectric properties of the SmFe3(BO3)4 ferroborate single crystals grown using different solvents

Еремин

Гудим

Temerov

et al. 2019

Journal of Crystal Growth

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SmFe 3 (BO 3) 4 single crystals have been grown from the bismuth trimolybdate and lithium tungstate-based melt-solutions. Samarium ferroborate single crystals were grown first from the lithium-tungstate flux. The magnetic and magnetoelectric properties of the synthesized crystals have been compared. It is shown that the SmFe 3 (BO 3) 4 ferroborate grown from the bismuth trimolybdate-based melt-solution contains impurities of Bi 3+ ions (5% at.), which replace Sm 3+ ions, while the SmFe 3 (BO 3) 4 , ferroborate grown from the lithium tungstate-based melt-solution contains minor or zero amounts of such impurities. The magnetoelectric and magnetodielectric effects with the Bi 3+ admixture appeared 1.5x stronger than in SmFe 3 (BO 3) 4 ; this is probably due to twinning.

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“…According to the results of the analysis of systematic extinctions, the space group P3 1 21 at 90-370 K and space group R32 at 375-500 K were chosen for the refinement of yttrium iron borate structure. Atomic coordinates in the structure of (Gd 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 single crystal at 293 K (space group R32) and 90 K (space group P3 1 21) were taken as the initial model for the refinement of the structure (Smirnova et al, 2016).…”

Section: Figurementioning

confidence: 99%

Crystal structure, phase transition and structural deformations in iron borate (Y_0.95Bi_0.05)Fe₃(BO₃)₄in the temperature range 90–500 K

Smirnova

Алексеева

Dudka

et al. 2018

Acta Crystallogr B Struct Sci Cryst Eng Mater

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An accurate X-ray diffraction study of (YBi)Fe(BO) single crystals in the temperature range 90-500 K was performed on a laboratory diffractometer and used synchrotron radiation. It was established that the crystal undergoes a diffuse structural phase transition in the temperature range 350-380 K. The complexity of localization of such a transition over temperature was overcome by means of special analysis of systematic extinction reflections by symmetry. The transition temperature can be considered to be T ≃ 370 K. The crystal has a trigonal structure in the space group P321 at temperatures of 90-370 K, and it has a trigonal structure in the space group R32 at 375-500 K. There is one type of chain formed by the FeO octahedra along the c axis in the R32 phase. When going into the P321 phase, two types of nonequivalent chains arise, in which Fe atoms are separated from the Y atoms by a different distance. Upon lowering the temperature from 500 to 90 K, a distortion of the Y(Bi)O, FeO, B(2,3)O coordination polyhedra is observed. The distances between atoms in helical Fe chains and Fe-O-Fe angles change non-uniformly. A sharp jump in the equivalent isotropic displacement parameters of O1 and O2 atoms within the Fe-Fe chains and fluctuations of the equivalent isotropic displacement parameters of B2 and B3 atoms were observed in the region of structural transition as well as noticeable elongation of O1, O2, B2, B3, Fe1, Fe2 atomic displacement ellipsoids. It was established that the helices of electron density formed by Fe, O1 and O2 atoms may be structural elements determining chirality, optical activity and multiferroicity of rare-earth iron borates. Compression and stretching of these helices account for the symmetry change and for the manifestation of a number of properties, whose geometry is controlled by an indirect exchange interaction between iron cations that compete with the thermal motion of atoms in the structure. Structural analysis detected these changes as variations of a number of structural characteristics in the c unit-cell direction, that is, the direction of the helices. Structural results for the local surrounding of the atoms in (YBi)Fe(BO) were confirmed by EXAFS and Mössbauer spectroscopies.

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Structure of Gd0.95Bi0.05Fe3(BO3)4 single crystals at 293 and 90 K

Cited by 10 publications

References 21 publications

Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Comparing the magnetic and magnetoelectric properties of the SmFe3(BO3)4 ferroborate single crystals grown using different solvents

Crystal structure, phase transition and structural deformations in iron borate (Y_0.95Bi_0.05)Fe₃(BO₃)₄in the temperature range 90–500 K

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Structure of Gd0.95Bi0.05Fe3(BO3)4 single crystals at 293 and 90 K

Cited by 10 publications

References 21 publications

Crystal structure and structural phase transition in bismuth-containing HoFe3(BO3)4in the temperature range 11–500 K

Crystal structure and structural phase transition in bismuth-containing HoFe3(BO3)4in the temperature range 11–500 K

Comparing the magnetic and magnetoelectric properties of the SmFe3(BO3)4 ferroborate single crystals grown using different solvents

Crystal structure, phase transition and structural deformations in iron borate (Y0.95Bi0.05)Fe3(BO3)4in the temperature range 90–500 K

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Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Crystal structure and structural phase transition in bismuth-containing HoFe₃(BO₃)₄in the temperature range 11–500 K

Crystal structure, phase transition and structural deformations in iron borate (Y_0.95Bi_0.05)Fe₃(BO₃)₄in the temperature range 90–500 K