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
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spelling Structures of phosphonitrides in light of the extended Zintl-Klemm conceptVegas, ÁngelOsman, Hussien H.Muñoz, AlfonsoBlatov, Vladislav A.Manjón, Francisco-Javier|||0000-0002-3926-1705PhosphonitridesCrystal structuresCrystal chemistryExtended 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, 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.HHO, AM and FJM acknowledge the financial support by Spanish Ministerio de Ciencia e Innovacion and the Agencia Estatal de Investigacion MCIN/AEI/10.13039/501100011033 as part of the project MALTA Consolider Team network (RED2022-134388-T), and I+D+i projects PID2022-138076NB-C42/C44 co-32 financed by EU FEDER funds, by project PROMETEO CIPROM/2021/075 (GREENMAT) financed by Generalitat Valenciana and co-financed by EU FEDER. This study also forms part of the Advanced Materials program supported by MCIN with funding from European Union NextGeneration EU (PRTR-C17.I1) and by Generalitat Valenciana through project MFA/2022/025 (ARCANGEL).Wiley-BlackwellDepartamento de Física AplicadaEscuela Técnica Superior de Ingeniería Aeroespacial y Diseño IndustrialInstituto de Diseño para la Fabricación y Producción AutomatizadaEuropean CommissionGENERALITAT VALENCIANAAgencia Estatal de InvestigaciónEuropean Regional Development FundUniversitat Politècnica de ValènciaRepositorio Institucional de la Universitat Politècnica de València Riunet20252025-08-01journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://riunet.upv.es/handle/10251/226667reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023 PID2022-138076NB-C42 ESTUDIO DE SESQUIOXIDOS, SESQUICALCOGENUROS Y COMPUESTOS MULTICENTRO EN CONDICIONES EXTREMASAgencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023 PID2022-138076NB-C44 SIMULACIONES DESDE PRIMEROS PRINCIPIOS PARA EL ESTUDIO DE LA MATERIA BAJO CONDICIONES EXTREMASGeneralitat Valenciana https://doi.org/10.13039/501100003359 CIPROM%2F2021%2F075 Materiales avanzados para tecnologías verdes (GREENMAT)Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 RED2022-134388-T MALTA Consolider TeamGeneralitat Valenciana https://doi.org/10.13039/501100003359 MFA%2F2022%2F025 Actividades en grafeno, materiales 2D y materiales con funcionalidades inteligentes para el desarrollo tecnológicoopen accesshttp://purl.org/coar/access_right/c_abf2Reconocimiento (by)http://creativecommons.org/licenses/by/4.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/2266672026-06-13T07:49:27Z
dc.title.none.fl_str_mv Structures of phosphonitrides in light of the extended Zintl-Klemm concept
title Structures of phosphonitrides in light of the extended Zintl-Klemm concept
spellingShingle Structures of phosphonitrides in light of the extended Zintl-Klemm concept
Vegas, Ángel
Phosphonitrides
Crystal structures
Crystal chemistry
Extended Zintl-Klemm concept
title_short Structures of phosphonitrides in light of the extended Zintl-Klemm concept
title_full Structures of phosphonitrides in light of the extended Zintl-Klemm concept
title_fullStr Structures of phosphonitrides in light of the extended Zintl-Klemm concept
title_full_unstemmed Structures of phosphonitrides in light of the extended Zintl-Klemm concept
title_sort Structures of phosphonitrides in light of the extended Zintl-Klemm concept
dc.creator.none.fl_str_mv Vegas, Ángel
Osman, Hussien H.
Muñoz, Alfonso
Blatov, Vladislav A.
Manjón, Francisco-Javier|||0000-0002-3926-1705
author Vegas, Ángel
author_facet Vegas, Ángel
Osman, Hussien H.
Muñoz, Alfonso
Blatov, Vladislav A.
Manjón, Francisco-Javier|||0000-0002-3926-1705
author_role author
author2 Osman, Hussien H.
Muñoz, Alfonso
Blatov, Vladislav A.
Manjón, Francisco-Javier|||0000-0002-3926-1705
author2_role author
author
author
author
dc.contributor.none.fl_str_mv Departamento de Física Aplicada
Escuela Técnica Superior de Ingeniería Aeroespacial y Diseño Industrial
Instituto de Diseño para la Fabricación y Producción Automatizada
European Commission
GENERALITAT VALENCIANA
Agencia Estatal de Investigación
European Regional Development Fund
Universitat Politècnica de València
Repositorio Institucional de la Universitat Politècnica de València Riunet
dc.subject.none.fl_str_mv Phosphonitrides
Crystal structures
Crystal chemistry
Extended Zintl-Klemm concept
topic Phosphonitrides
Crystal structures
Crystal chemistry
Extended Zintl-Klemm concept
description [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.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025-08-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
VoR
http://purl.org/coar/version/c_970fb48d4fbd8a85
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://riunet.upv.es/handle/10251/226667
url https://riunet.upv.es/handle/10251/226667
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.relation.none.fl_str_mv Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023 PID2022-138076NB-C42 ESTUDIO DE SESQUIOXIDOS, SESQUICALCOGENUROS Y COMPUESTOS MULTICENTRO EN CONDICIONES EXTREMAS
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 Plan Estatal de Investigación Científica y Técnica y de Innovación 2021-2023 PID2022-138076NB-C44 SIMULACIONES DESDE PRIMEROS PRINCIPIOS PARA EL ESTUDIO DE LA MATERIA BAJO CONDICIONES EXTREMAS
Generalitat Valenciana https://doi.org/10.13039/501100003359 CIPROM%2F2021%2F075 Materiales avanzados para tecnologías verdes (GREENMAT)
Agencia Estatal de Investigación http://dx.doi.org/10.13039/501100011033 RED2022-134388-T MALTA Consolider Team
Generalitat Valenciana https://doi.org/10.13039/501100003359 MFA%2F2022%2F025 Actividades en grafeno, materiales 2D y materiales con funcionalidades inteligentes para el desarrollo tecnológico
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reconocimiento (by)
http://creativecommons.org/licenses/by/4.0/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Reconocimiento (by)
http://creativecommons.org/licenses/by/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley-Blackwell
publisher.none.fl_str_mv Wiley-Blackwell
dc.source.none.fl_str_mv reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname:Universitat Politècnica de València (UPV)
instname_str Universitat Politècnica de València (UPV)
reponame_str RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
collection RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
repository.name.fl_str_mv
repository.mail.fl_str_mv
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