Structures of phosphonitrides in light of the extended Zintl-Klemm concept

[EN] 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)(2)AlP8N15(NH) (AE = Ca, Sr, Ba), (GePN3)-P-IV and MP2N4 (M = Be, Ca, Sr, Ba, Ge-II) are mainly discussed...

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Detalles Bibliográficos
Autores: Vegas, Ángel, Osman, Hussien H., Muñoz, Alfonso, Blatov, Vladislav A., Manjón, Francisco-Javier|||0000-0002-3926-1705
Tipo de recurso: artículo
Fecha de publicación:2025
País:España
Institución:Universitat Politècnica de València (UPV)
Repositorio:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
Idioma:inglés
OAI Identifier:oai:riunet.upv.es:10251/226667
Acceso en línea:https://riunet.upv.es/handle/10251/226667
Access Level:acceso abierto
Palabra clave:Phosphonitrides
Crystal structures
Crystal chemistry
Extended Zintl-Klemm concept
Descripción
Sumario:[EN] 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)(2)AlP8N15(NH) (AE = Ca, Sr, Ba), (GePN3)-P-IV and MP2N4 (M = Be, Ca, Sr, Ba, Ge-II) are mainly discussed, although the examples of LiGaGe and LiGaGeO4 have been also commented on due to their relation with BeP2N4. 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 PN4 units, which behave as pseudo-SiO4 units like the SiO4 units in many polymorphs of SiO2. 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.