High-pressure synthesis and crystal structure of In3B5O12

Vitzthum Daniela; Schauperl Michael; Liedl Klaus R.Huppertz Hubert

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High-pressure synthesis and crystal structure of In3B5O12

机译：In3B5O12的高压合成及晶体结构

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Orthorhombic In-3 B5O12 was synthesized in a Walker- type multianvil apparatus under high-pressure/ high- temperature conditions of 12.2 GPa and 1500 degrees C. Its structure is isotypic to the rare earth analogs RE3B5O12 (RE = Sc, Er-Lu). In the field of indium borate chemistry, In3B5O12 is the third known ternary indium borate besides InBO3 and InB5O9. The crystal structure of In3B5O12 has been determined via single-crystal X-ray diffraction data collected at room temperature. It crystallizes in the orthorhombic space group Pmna with the lattice parameters a = 12.570(2), b = 4.5141(4), c = 12.397(2) angstrom(3), and V = 703.4(2)angstrom(3). IR and Raman bands of In3B5O12 were theoretically determined and assigned to experimentally recorded spectra.

机译：在Walker型多砧装置中，在12.2 GPa和1500 °C的高压/高温条件下合成了斜方晶系In-3 B5O12。其结构与稀土类似物RE3B5O12（RE = Sc，Er-Lu）同型。在硼酸铟化学领域，In3B5O12 是除 InBO3 和 InB5O9 之外的第三种已知的三元硼酸铟。In3B5O12的晶体结构是通过在室温下收集的单晶X射线衍射数据确定的。它在正交正交空间群Pmna中结晶，晶格参数a=12.570（2），b=4.5141（4），c=12.397（2）埃（3），V=703.4（2）埃（3）。从理论上测定了In3B5O12的红外和拉曼波段，并将其分配给实验记录的光谱。

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《Zeitschrift fur Naturforschung, B. A Journal of Chemical Sciences》 |2017年第1期|69-76|共8页
作者
Vitzthum Daniela; Schauperl Michael; Liedl Klaus R.Huppertz Hubert;
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作者单位

Leopold Franzens Univ Innsbruck, Inst Allgemeine Anorgan & Theoret Chem, Innrain 80-82, A-6020 Innsbruck, Austria;

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正文语种英语
中图分类化学;
关键词
crystal structure; density functional theory; high pressure; indium borate; IR and Raman spectroscopy;

机译：晶体结构;密度泛函理论;高压;硼酸铟;红外和拉曼光谱;

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High-pressure synthesis and crystal structure of In3B5O12

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