Mar 20 – 23, 2023
Campus Garching
Europe/Berlin timezone

Expanding the Sr–B–N–H system with the compound Sr13(BN2)6H8 validated by X-ray and neutron powder diffraction

Mar 21, 2023, 4:00 PM
Yards 4 - 6 (Fakultät für Maschinenwesen)

Yards 4 - 6

Fakultät für Maschinenwesen

Board: TU-250
Poster Chemistry of Materials (Structure and Spectroscopy) Poster session TUESDAY


Sophia Lena Wandelt


Multianionic compounds containing hydrides built a large variety of compounds, e. g. hydride fluorides, hydride oxides or hydride nitrides, which can act as functional materials such as hydride ionic conductors or host lattices for Eu2+ luminescence.[1] On the other hand, the compound class of nitridoborate hydrides is with only two known compounds, namely Ca2BN2H and Sr2BN2H, only little explored so far.[2,3] We hereby present a new member of this group, Sr13(BN2)6H8. The compound crystallizes in the hexagonal space group P63/m (no. 176) and reveals trigonal planar and distorted tetrahedrally coordinated hydride ions as well as slightly bent [N–B–N]3− units coordinated by strontium atoms. The structure was partially solved by X-ray powder diffraction and corroborated with neutron powder diffraction of the corresponding deuterated compound. Further analytics such as 1H and 11B MAS NMR, FTIR and Raman spectroscopy confirm the proposed structure model and the presence of anionic hydrogen. DFT calculations further validate the experimental outcome and reveal the electronic structure of Sr13(BN2)6H8.
[1] H. Kageyama et al., Nat. Commun. 2018, 9, 772.
[2] M. Somer et al., Z. Allg. Anorg. Chem. 2004, 630, 1068.
[3] S. Wandelt et al., Inorg. Chem. 2022, 61, 12685.

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