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Updated: Jul 14, 2026

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
The stuffed framework structure of SrP2N4: challenges to synthesis and crystal structure determination
Friedrich W Karau1, Lena Seyfarth, Oliver Oeckler
1Department Chemie und Biochemie, Ludwig-Maximilians-Universität München, Butenandtstrasse 5-13 (D), 81377 München, Germany.
Abstract:
SrP2N4 was obtained by high-pressure high-temperature synthesis utilizing the multianvil technique (5 GPa, 1400 degrees C) starting from mixtures of phosphorus(V) nitride and strontium azide. SrP2N4 turned out to be isotypic with BaGa(2)O(4) and is closely related to KGeAlO(4). The crystal structure (SrP2N4, a=17.1029(8), c=8.10318(5) A, space group P6(3) (no. 173), V=2052.70(2) A3, Z=24, R(F2)=0.0633) was solved from synchrotron powder diffraction data by applying a combination of direct methods, Patterson syntheses, and difference Fourier maps adding the unit cell information derived from electron diffraction and symmetry information obtained from 31P solid-state NMR spectroscopy. The structure of SrP2N4 was refined by the Rietveld method by utilizing both neutron and synchrotron X-ray powder diffraction data, and has been corroborated additionally by 31P solid-state NMR spectroscopy by employing through-bond connectivities and distance relations.
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