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Metal-Rich Phosphides Obtained from the Lead Flux: Synthesis, Crystal, and Electronic Structure of Sr5Pt12P9 and BaPt3P2.
Makhaneva, Anastasiya Yu; Zakharova, Elena Yu; Nesterenko, Sergey N; Lyssenko, Konstantin A; Yapaskurt, Vasiliy O; Kuznetsov, Alexey N.
Afiliación
  • Makhaneva AY; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
  • Zakharova EY; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
  • Nesterenko SN; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
  • Lyssenko KA; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
  • Yapaskurt VO; Department of Geology, Lomonosov Moscow State University, Moscow 119991, Russia.
  • Kuznetsov AN; Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
Inorg Chem ; 61(24): 9173-9183, 2022 Jun 20.
Article en En | MEDLINE | ID: mdl-35670830
Using a high-temperature ampoule technique and lead metal as a flux, we have grown single crystals and determined crystal structures from single-crystal X-ray diffraction data of two metal-rich phosphides, Sr5Pt12P9 (P 21/m, a = 6.1472(3) Å, b = 25.1713(13) Å, c = 6.4635(3) Å, ß = 99.604(2)°, Z = 2, R1 = 0.0326, wR2 = 0.0786) and BaPt3P2 (P 212121, a = 6.3605(6) Å, b = 6.8541(7) Å, c = 11.3493(12) Å, Z = 4, R1 = 0.0231, wR2 = 0.0501). Both compounds belong to their own structure types and feature 3D networks of Pt and P atoms, with the channels occupied by alkaline earth metal cations. Density functional theory calculations reveal Sr5Pt12P9 to be a metal, while BaPt3P2 is a narrow-gap semiconductor with a band gap of 0.24 eV. Bonding analysis shows that both compounds feature networks of prominent covalent localized Pt-P bonds, responsible for their structural stability, as well as additional weaker and, likely, less localized Pt-Pt interactions.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2022 Tipo del documento: Article País de afiliación: Rusia Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Inorg Chem Año: 2022 Tipo del documento: Article País de afiliación: Rusia Pais de publicación: Estados Unidos