Although beryllium and its compounds show outstanding properties, owing to its toxic potential and extreme reaction conditions the chemistry of Be under high‐pressure conditions has only been investigated sparsely. Herein, we report on the highly condensed wurtzite‐type Be2PN3, which was synthesized from Be3N2 and P3N5 in a high‐pressure high‐temperature approach at 9 GPa and 1500 °C. It is the missing member in the row of formula type M2PN3 (M = Mg, Zn). The structure was elucidated by powder X‐ray diffraction (PXRD), revealing that Be2PN3 is a double nitride, rather than a nitridophosphate. The structural model was further corroborated by 9Be and 31P solid‐state nuclear magnetic resonance (NMR) spectroscopy. We present 9Be NMR data for tetrahedral nitride coordination for the first time. Infrared and energy‐dispersive X‐ray spectroscopy (FTIR and EDX), as well as temperature dependent PXRD complement the analytical characterization. Density functional theory (DFT) calculations reveal super‐incompressible behavior and the remarkable hardness of this low‐density material. The formation of Be2PN3 through a high‐pressure high‐temperature approach expands the synthetic access to Be‐containing compounds and may open access to various multinary beryllium nitrides.

中文翻译：

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高度压缩且超不可压缩的 Be2PN3

尽管铍及其化合物表现出优异的性能，但由于其潜在的毒性和极端的反应条件，铍在高压条件下的化学性质仅得到很少的研究。在此，我们报道了高度浓缩的纤锌矿型Be2PN3，它是由Be3N2和P3N5在9 GPa和1500 °C的高压高温下合成的。它是分子式类型 M2PN3 (M = Mg, Zn) 行中缺失的成员。通过粉末 X 射线衍射 (PXRD) 阐明了其结构，表明 Be2PN3 是双氮化物，而不是亚氮磷酸盐。 9Be和31P固态核磁共振（NMR）光谱进一步证实了结构模型。我们首次提供了四面体氮化物配位的 9Be NMR 数据。红外和能量色散 X 射线光谱（FTIR 和 EDX）以及温度相关的 PXRD 补充了分析表征。密度泛函理论（DFT）计算揭示了这种低密度材料的超不可压缩行为和显着的硬度。通过高压高温方法形成 Be2PN3 扩大了含 Be 化合物的合成途径，并可能开辟各种多元氮化铍的途径。