Growth units and growth habit of α-BaB2O4crystal

The structure of the melt near a crystal–melt interface is a fundamental problem in the dynamics of crystal growth. In this work, high-temperature Raman spectroscopy was applied to investigatein situthe structure of the melt near the α-BaB2O4(α-BBO) crystal–melt interface. A structured melt was found in this region: (B3O6)3−groups form near the interface and vanish towards the bulk melt. The crystal growth habit was then explained by the periodic bond chain (PBC) theory. At the α-BBO crystal–melt interface, the growth units, namely the (B3O6)3−anion groups and Ba2+cations, stack mainly along four types of PBCs. These four PBCs constitute three potential F faces: {10\bar{1} 2}, {01\bar{1} 4} and {10\bar{1} 10}. The predicted results are in good agreement with the observed growth habit of α-BBO crystal.

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High-temperature Raman spectroscopy of the Cs2O–B2O3–MoO3 system for CsB3O5 crystal growth

Journal of Applied Crystallography ◽

10.1107/s160057671600114x ◽

2016 ◽

Vol 49 (2) ◽

pp. 479-484

Author(s):

Shanshan Liu ◽

Guochun Zhang ◽

Songming Wan ◽

Jinglin You ◽

Mohamed-Ramzi Ammar ◽

...

Keyword(s):

Raman Spectroscopy ◽

Raman Spectrum ◽

Crystal Growth ◽

High Temperature ◽

Isomerization Reaction ◽

Spontaneous Crystallization ◽

System A ◽

Solution Interface ◽

Growth System

Raman spectroscopy at high temperature has been applied to study in situ the microstructure of the solution in a Cs2O–B2O3–MoO3 growth system. A crystal–solution interface was observed. The BO groups consist of spiral chains based on B3O4Ø2 rings in the solution (Ø is a bridging O atom). The Raman spectrum of the solution indicates that MoO4 tetrahedra existed in the growth system. The nonbridging O atoms of the chains combined with the MoO4 groups, which decreased the viscosity. The Raman spectra near the interface show that at the boundary an isomerization reaction from three- to four-coordinated boron occurred. The formation of B3Ø7 triborate groups occurred. The morphology of the CsB3O5 crystal resulting from spontaneous crystallization was observed to correspond to our expectations.

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In situ investigation of BaBPO 5 crystal growth mechanism by high-temperature Raman spectroscopy

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.01.029 ◽

2017 ◽

Vol 1138 ◽

pp. 50-54 ◽

Cited By ~ 2

Author(s):

Ji Zhang ◽

Di Wang ◽

Deming Zhang ◽

Qingli Zhang ◽

Dunlu Sun ◽

...

Keyword(s):

Raman Spectroscopy ◽

Crystal Growth ◽

High Temperature ◽

Growth Mechanism ◽

Crystal Growth Mechanism ◽

In Situ Investigation

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In Situ Raman Spectroscopy Studies on La2CaB10O19 Crystal Growth

Crystal Growth & Design ◽

10.1021/acs.cgd.0c00761 ◽

2020 ◽

Vol 20 (10) ◽

pp. 6604-6609

Author(s):

Shanshan Liu ◽

Guochun Zhang ◽

Kai Feng ◽

Yanyang Han ◽

Tao He ◽

...

Keyword(s):

Raman Spectroscopy ◽

Crystal Growth ◽

In Situ Raman Spectroscopy ◽

In Situ Raman ◽

Spectroscopy Studies

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Temperature-Dependent Raman Spectroscopic Study of the Double Molybdate KBi(MoO4)2

Materials ◽

10.3390/ma13235453 ◽

2020 ◽

Vol 13 (23) ◽

pp. 5453

Author(s):

Min Wang ◽

Changhao Wang ◽

Jian Wang ◽

Liming Lu ◽

Xiaoye Gong ◽

...

Keyword(s):

High Temperature ◽

Raman Spectra ◽

Monoclinic Phase ◽

Raman Band ◽

Vibrational Modes ◽

Temperature Dependent ◽

Raman Spectroscopic ◽

Thermal Stability Of ◽

Good Agreement

In situ high-temperature Raman spectra of polycrystalline KBi(MoO4)2 were recorded from room temperature to 1073 K. Thermal stability of the monoclinic KBi(MoO4)2 was examined by temperature-dependent XRD. The monoclinic phase transformed into the scheelite tetragonal structure at 833 K, and then to the monoclinic phase at 773 K. Quantum chemistry ab initio calculation was performed to simulate the Raman spectra of the structure of KBi(MoO4)2 high-temperature melt. The experimental Raman band at 1023 K was deconvoluted into seven Gaussian peaks, and the calculated results were in good agreement with the experimental data. Therefore, the vibrational modes of Raman peaks of molten KBi(MoO4)2 were assigned. It was confirmed that the isolated structure of [Bi(MoO4)2]− monomer, consisting of Mo6+ centers and Bi3+ sub-centers connected by edge-sharing, mainly exists in the melt of KBi(MoO4)2.

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