Schmitt, Martin K. and Janka, Oliver and Niehaus, Oliver and Dresselhaus, Thomas and Poettgen, Rainer and Pielnhofer, Florian and Weihrich, Richard and Krzhizhanovskaya, Maria and Filatov, Stanislav and Bubnova, Rimma and Bayarjargal, Lkhamsuren and Winlder, Bjoern and Glaum, Robert and Huppertz, Hubert (2017) Synthesis and Characterization of the High-Pressure Nickel Borate gamma-NiB4O7. INORGANIC CHEMISTRY, 56 (7). pp. 4217-4228. ISSN 0020-1669, 1520-510X
Full text not available from this repository. (Request a copy)Abstract
gamma-NiB4O7 was synthesized in a high-pressure/high-temperature experiment at 5 GPa and 900 degrees C. The, single-crystal structure analysis yielded the following, results: space group P6(5)22 (No. 179), a = 425.6(2), c = 3490.5(2) pm, V = 0.545(2). nm(3), Z = 6, and Flack parameter x = -0.010(5). Second harmonic generation Measurements confirmed the acentric crystal structure. Furthermore, gamma-NiB4O7 was characterized via vibrational as well as single-crystal electronic absorption spectroscopy, magnetic measurements, high-temperature 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 gamma-NiB4O7.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTRONIC POPULATION ANALYSIS; MOLECULAR WAVE FUNCTIONS; BOND-VALENCE PARAMETERS; SHARING BO4 TETRAHEDRA; CRYSTAL-STRUCTURE; ABSOLUTE-STRUCTURE; THERMAL-EXPANSION; BETA-MB4O7 M; AB-INITIO; REFINEMENT; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Anorganische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 14 Dec 2018 13:11 |
| Last Modified: | 20 Feb 2019 07:20 |
| URI: | https://pred.uni-regensburg.de/id/eprint/1051 |
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