Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
γ-NiB4O7 was synthesized in a high-pressure/high-temperature experiment at 5 GPa and 900 °C. The single-crystal structure analysis yielded the following results: space group P6522 (No. 179), a = 425.6(2), c = 3490.5(2) pm, V = 0.5475(2) nm3, Z = 6, and Flack parameter x = −0.010(5). Second harmonic generation measurements confirmed the acentric crystal structure. Furthermore, γ-NiB4O7 was characterized via vibrational as well as single-crystal electronic absorption spectroscopy, magnetic measurements, high-temperature X-ray diffraction, differential scanning calorimetry, and thermogravimetry. Density functional theory-based calculations were performed to facilitate band assignments to vibrational modes and to evaluate the elastic properties and phase stability of γ-NiB4O7.
Язык оригинала | английский |
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Страницы (с-по) | 4217-4228 |
Число страниц | 12 |
Журнал | Inorganic Chemistry |
Том | 56 |
Номер выпуска | 7 |
DOI | |
Состояние | Опубликовано - 3 апр 2017 |
ID: 9147048