Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7

Martin K. Schmitt, Oliver Janka, Oliver Niehaus, Thomas Dresselhaus, Rainer Pöttgen, Florian Pielnhofer, Richard Weihrich, Maria Krzhizhanovskaya, Stanislav Filatov, Rimma Bubnova, Lkhamsuren Bayarjargal, Björn Winkler, Robert Glaum, Hubert Huppertz

Research output

11 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)4217-4228
Number of pages12
JournalInorganic Chemistry
Volume56
Issue number7
DOIs
Publication statusPublished - 3 Apr 2017

Fingerprint

Borates
borates
Nickel
Crystal structure
Single crystals
nickel
crystal structure
Phase stability
single crystals
Magnetic variables measurement
synthesis
Harmonic generation
thermogravimetry
Absorption spectroscopy
magnetic measurement
Density functional theory
Thermogravimetric analysis
Differential scanning calorimetry
vibration mode
harmonic generations

Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Schmitt, M. K., Janka, O., Niehaus, O., Dresselhaus, T., Pöttgen, R., Pielnhofer, F., ... Huppertz, H. (2017). Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7. Inorganic Chemistry, 56(7), 4217-4228. https://doi.org/10.1021/acs.inorgchem.7b00243
Schmitt, Martin K. ; Janka, Oliver ; Niehaus, Oliver ; Dresselhaus, Thomas ; Pöttgen, Rainer ; Pielnhofer, Florian ; Weihrich, Richard ; Krzhizhanovskaya, Maria ; Filatov, Stanislav ; Bubnova, Rimma ; Bayarjargal, Lkhamsuren ; Winkler, Björn ; Glaum, Robert ; Huppertz, Hubert. / Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7. In: Inorganic Chemistry. 2017 ; Vol. 56, No. 7. pp. 4217-4228.
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abstract = "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.",
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Schmitt, MK, Janka, O, Niehaus, O, Dresselhaus, T, Pöttgen, R, Pielnhofer, F, Weihrich, R, Krzhizhanovskaya, M, Filatov, S, Bubnova, R, Bayarjargal, L, Winkler, B, Glaum, R & Huppertz, H 2017, 'Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7', Inorganic Chemistry, vol. 56, no. 7, pp. 4217-4228. https://doi.org/10.1021/acs.inorgchem.7b00243

Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7. / Schmitt, Martin K.; Janka, Oliver; Niehaus, Oliver; Dresselhaus, Thomas; Pöttgen, Rainer; Pielnhofer, Florian; Weihrich, Richard; Krzhizhanovskaya, Maria; Filatov, Stanislav; Bubnova, Rimma; Bayarjargal, Lkhamsuren; Winkler, Björn; Glaum, Robert; Huppertz, Hubert.

In: Inorganic Chemistry, Vol. 56, No. 7, 03.04.2017, p. 4217-4228.

Research output

TY - JOUR

T1 - Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7

AU - Schmitt, Martin K.

AU - Janka, Oliver

AU - Niehaus, Oliver

AU - Dresselhaus, Thomas

AU - Pöttgen, Rainer

AU - Pielnhofer, Florian

AU - Weihrich, Richard

AU - Krzhizhanovskaya, Maria

AU - Filatov, Stanislav

AU - Bubnova, Rimma

AU - Bayarjargal, Lkhamsuren

AU - Winkler, Björn

AU - Glaum, Robert

AU - Huppertz, Hubert

PY - 2017/4/3

Y1 - 2017/4/3

N2 - 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.

AB - 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.

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U2 - 10.1021/acs.inorgchem.7b00243

DO - 10.1021/acs.inorgchem.7b00243

M3 - Article

AN - SCOPUS:85016973839

VL - 56

SP - 4217

EP - 4228

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 7

ER -

Schmitt MK, Janka O, Niehaus O, Dresselhaus T, Pöttgen R, Pielnhofer F et al. Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7. Inorganic Chemistry. 2017 Apr 3;56(7):4217-4228. https://doi.org/10.1021/acs.inorgchem.7b00243