Vegas Angel, Osman Hussien H, Muñoz Alfonso, Blatov Vladislav A, Manjón Francisco Javier
Universidad de Burgos, Hospital del Rey s/n, Burgos, 09001, Spain.
Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team, Universitat Politècnica de València, València, 46022, Spain.
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2025 Aug 1;81(Pt 4):378-394. doi: 10.1107/S2052520625004263. Epub 2025 Jun 30.
The extended Zintl-Klemm concept (EZKC) is applied to explain the crystalline structures of phosphonitrides (also known as nitridophosphates in the chemical literature). The examples of (AE)AlPN(NH) (AE = Ca, Sr, Ba), GePN and MPN (M = Be, Ca, Sr, Ba, Ge) are mainly discussed, although the examples of LiGaGe and LiGaGeO have been also commented on due to their relation with BePN. It is shown that the EZKC provides a better understanding of the structures of these compounds than in previous descriptions. In most of these nitrides, P atoms behave as pseudo-Si atoms and N atoms behave as pseudo-O atoms, so providing a good explanation for the four-connectivity of P atoms forming PN units, which behave as pseudo-SiO units like the SiO units in many polymorphs of SiO. In addition, the EZKC shows that the notation of these compounds as phosphonitrides is more appropriate than as nitridophosphates because N atoms act as the anions in these compounds.
扩展的津特耳-克莱姆概念（EZKC）被用于解释磷氮化物（在化学文献中也被称为氮磷化物）的晶体结构。本文主要讨论了(AE)AlPN(NH)（AE = Ca、Sr、Ba）、GePN和MPN（M = Be、Ca、Sr、Ba、Ge）的例子，不过由于LiGaGe和LiGaGeO与BePN的关系，也对它们进行了评论。结果表明，与之前的描述相比，EZKC能更好地理解这些化合物的结构。在大多数这些氮化物中，P原子表现为类硅原子，N原子表现为类氧原子，这为形成PN单元的P原子的四连接性提供了很好的解释，PN单元像SiO的许多多晶型中的SiO单元一样表现为类SiO单元。此外，EZKC表明，将这些化合物表示为磷氮化物比表示为氮磷化物更合适，因为在这些化合物中N原子充当阴离子。
