Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.1080/08957959.2020.1830078

Ключевые слова: 3.65 angstrom-phase, dense hydrous magnesium silicates, raman spectra, high pressure, six-coordinated silicon, 3.65 å-phase

Аннотация: 3.65 angstrom-phase (or hydroxide-perovskite), MgSi(OH)(6), is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to similar to 35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 angstrom-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to similar to 7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O-O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O-H center dot center dot center dot O. Upon the pressure increase, octahedral and bending delta(OH) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the OH-stretching modes show inverse pressure dependence.

Журнал: HIGH PRESSURE RESEARCH

Выпуск журнала: Vol. 40, Is. 4

Номера страниц: 495-510

ISSN журнала: 08957959

Место издания: ABINGDON

Издатель: TAYLOR & FRANCIS LTD

• Borodina Ulyana (Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, 3 Koptyug Ave, Novosibirsk 630090, Russia)
• Goryainov Sergey (Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, 3 Koptyug Ave, Novosibirsk 630090, Russia)
• Oreshonkov Aleksandr (RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB, Krasnoyarsk, Russia; Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk, Russia)
• Shatskiy Anton (Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, 3 Koptyug Ave, Novosibirsk 630090, Russia)
• Rashchenko Sergey (Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, 3 Koptyug Ave, Novosibirsk 630090, Russia; Novosibirsk State Univ, Dept Geol & Geophys, Novosibirsk, Russia)

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