ChemInform Abstract: Crystal Structure of NdSc3(BO3)4.

Рыбаков, В. Б.; Кузьмичева, Г. М.; Zharikov, E. V.; Ageev, A. Yu.; Kutovoĭ, S. A.; Кузьмін, О. В.

doi:10.1002/chin.199810003

Cited by 3 publications

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“…The structure of NSB crystals grown from the initial charge with the composition NdSc 3 (BO 3 ) 4 was refined within the framework of the space group R 32. , The unit cell parameters of crystal with the initial charge composition Nd 1.25 Sc 2.75 (BO 3 ) 4 , determined by the autoindexing of 21 reflections ( h 0 h̅ 0, 000 l ) in the range of interplanar distances d = 2.01–8.14 Å, correspond to the primitive trigonal cell ( a = 9.74, c = 15.83 Å) with the double c parameter compared with the huntite structure (the space group R 32) . In the range of d = 3.96–4.00 Å, several broad reflections with a width of 1.23–1.4° were detected (the remaining reflections of approximately the same intensity had a width of 1.05°).…”

Section: Introductionmentioning

confidence: 99%

“…The structure of the crystal with the charge composition Nd 1.25 Sc 2.75 (BO 3 ) 4 was refined in the space groups R 32, P 321, and P 3 ( P 321 and P 3 are the most probable) with the unit cell parameters a = 9.763(3), c = 7.919(2) Å . In all the cases, anomalous (negative) thermal parameters for the O and B atoms were observed, which indicates problems in the X-ray diffraction analysis of NSB .…”

Section: Introductionmentioning

confidence: 99%

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Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄

Кузьмичева

Kaurova

Rybakov

et al. 2018

Crystal Growth & Design

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An influence of the type of rare-earth (RE) cation and composition of initial charge on the symmetry, structural features, and real composition of the single-crystal huntite family rare-earth scandium borates RESc3(BO3)4 (RE = Ce, Pr, Nd), grown by the Czochralski method, has been studied by single crystal and powder X-ray diffraction. A crystallization of scandium borates in the space groups C2/c (RE = Ce) and P321 (RE = Pr, Nd) has been found. Disordering in the structures with the space group P321, which has been first determined for the huntite family compounds, is due to the RE and Sc redistribution over two trigonal-prismatic sites to maintain the stability of crystal structure. The crystals grown from the initial charges NdSc3(BO3)4 and Nd1.25Sc2.75(BO3)4 are characterized by the greatest disordering, and they are isotypic, rather than isostructural, to the crystals obtained from the charges Pr1.1Sc2.9(BO3)4 and Pr1.25Sc2.75(BO3)4. A change in the unit cell parameters and interatomic distances depending on the RE radius and composition of the initial charge is found and explained. Analysis of our and literary data for RESc3(BO3)4 with the RE = La, Ce, Pr, Nd, Sm, Eu allowed to reveal a morphotropic series for scandium borates based on the size factor (the RE 3+ radius), suggest methods for evaluating the specific crystal symmetry depending on the type of RE cation, and propose factors affecting its realization. The comparison of huntite family REM 3(BO3)4 (M = Al, Ga, Sc) single crystals allowed to establish basic differences between their crystal structures, mainly due to the different sizes of RE and M ions.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄

Кузьмичева

Kaurova

Rybakov

et al. 2018

Crystal Growth & Design

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“…For the above-mentioned compounds, positional parameters have been refined only [90]. [35,76,82,83,85,89,91] and [35,84,86,87,91], respectively, and in the present work. To reduce an error associated with an absorption, the XRD data were collected over the entire Ewald sphere.…”

Section: Methodsmentioning

confidence: 99%

Crystal Growth of Multifunctional Borates and Related Materials

2019

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“…Resuts of XRD study of the Czochralski-grown single crystals and solid solutions ("Enraf-Nonius" CAD-4 single-crystal diffractometer; room temperature; AgK α , MoK α or CuK α ; size,~0.1 × 0.1 × 0.1 mm 3 ) with the initial compositions LaSc 3 (BO 3 ) 4 , CeSc 3 (BO 3 ) 4 , Pr 4 , performed by our scientific group, are given in [35,76,82,83,85,89,91] and [35,84,86,87,91], respectively, and in the present work. To reduce an error associated with an absorption, the XRD data were collected over the entire Ewald sphere.…”

Section: Space Groups For the Lnm 3 (Bo 3 )mentioning

confidence: 99%

“…As a result of quenching of rare-earth aluminum orthoborates with the trigonal symmetry, in According to the results of the XRD analysis of the micropart of the crystal with the initial composition Nd 1.25 Sc 2.75 (BO 3 ) 4 (NSB-1.25), the unit cell parameters determined by auto-indexing of 21 reflections (h0h0, 000l) in the interval of interplanar distances d = 2.01-8.14 Å, correspond to the primitive trigonal cell with the c R32 parameter doubled with respect to the huntite one (a = a R32 = 9.74, c = 2c R32 = 15.83 Å) [89]. In the interval of interplanar distances d = 3.96-4.00 Å, several diffuse reflections with a width of 1.23-1.4 • were found (the remaining reflections of approximately the same intensity had a width of 1.05 • ).…”

Section: Crystallochemical Features Of the Huntite Familymentioning

confidence: 99%

Crystallochemical Design of Huntite-Family Compounds

et al. 2019

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Huntite-family nominally-pure and activated/co-activated LnM3(BO3)4 (Ln = La–Lu, Y; M = Al, Fe, Cr, Ga, Sc) compounds and their-based solid solutions are promising materials for lasers, nonlinear optics, spintronics, and photonics, which are characterized by multifunctional properties depending on a composition and crystal structure. The purpose of the work is to establish stability regions for the rare-earth orthoborates in crystallochemical coordinates (sizes of Ln and M ions) based on their real compositions and space symmetry depending on thermodynamic, kinetic, and crystallochemical factors. The use of diffraction structural techniques to study single crystals with a detailed analysis of diffraction patterns, refinement of crystallographic site occupancies (real composition), and determination of structure–composition correlations is the most efficient and effective option to achieve the purpose. This approach is applied and shown primarily for the rare-earth scandium borates having interesting structural features compared with the other orthoborates. Visualization of structures allowed to establish features of formation of phases with different compositions, to classify and systematize huntite-family compounds using crystallochemical concepts (structure and superstructure, ordering and disordering, isostructural and isotype compounds) and phenomena (isomorphism, morphotropism, polymorphism, polytypism). Particular attention is paid to methods and conditions for crystal growth, affecting a crystal real composition and symmetry. A critical analysis of literature data made it possible to formulate unsolved problems in materials science of rare-earth orthoborates, mainly scandium borates, which are distinguished by an ability to form internal and substitutional (Ln and Sc atoms), unlimited and limited solid solutions depending on the geometric factor.

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ChemInform Abstract: Crystal Structure of NdSc₃(BO₃)₄.

Cited by 3 publications

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Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄

Crystal Growth of Multifunctional Borates and Related Materials

Crystallochemical Design of Huntite-Family Compounds

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ChemInform Abstract: Crystal Structure of NdSc3(BO3)4.

Cited by 3 publications

References 0 publications

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc3(BO3)4

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc3(BO3)4

Crystal Growth of Multifunctional Borates and Related Materials

Crystallochemical Design of Huntite-Family Compounds

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Product

Resources

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ChemInform Abstract: Crystal Structure of NdSc₃(BO₃)₄.

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄

Structural Instability in Single-Crystal Rare-Earth Scandium Borates RESc₃(BO₃)₄