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Updated: Jul 11, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
Published on: September 17, 2017
"NaB15": a new structural description based on X-ray and neutron diffraction, electron microscopy, and solid-state
1Institut fur Anorganische und Analytische Chemie I, Justus-Liebig-Universitat, Giessen, Germany. barbara.albert@anorg.chemie.uni-giessen.de
This study corrects the crystal structure of a sodium boride, previously identified as NaB15. The revised structure, determined through multiple advanced techniques, reveals a new formula of NaB14.5 or Na2B29.
Area of Science:
- Solid-state chemistry
- Materials science
- Crystallography
Background:
- The precise crystal structure of boron-rich sodium borides is crucial for understanding their properties.
- Previous structural assignments for compounds like NaB15 may require revision based on new data.
Purpose of the Study:
- To comprehensively reinvestigate and accurately determine the crystal structure of a boron-rich sodium boride.
- To correct the previously assigned space group and compositional formula.
Main Methods:
- X-ray single-crystal and powder diffraction
- Low-temperature neutron and electron diffraction
- High-resolution transmission electron microscopy
- 23Na solid-state Nuclear Magnetic Resonance (NMR) spectroscopy
Main Results:
- The previously reported orthorhombic space group was found to be incorrect.
- A revised structural model was developed in the monoclinic space group I2/m.
- Experimental data confirmed an unoccupied interstitial boron site, leading to the accurate formula NaB14.5 or Na2B29.
Conclusions:
- The crystal structure of the boron-rich sodium boride has been accurately redefined.
- The corrected structural and compositional information provides a foundation for future research on sodium borides.
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