The germanosilicide Na4-xGeySi16-y (0.4 ≤ x ≤ 1.1, 4.7 ≤ y ≤ 9.3) was synthesized under high-pressure, high-temperature conditions. The novel guest-host compound comprises a unique tetrel framework with dual channels housing sodium and smaller, empty (Si,Ge)9 units. The arrangement represents a new structure type with an overall structural topology that is closely related to a hypothetical carbon allotrope. Topological analysis of the structure revealed that the guest environment space cannot be tiled with singular polyhedra as in cage compounds (e.g., clathrates). The analysis of natural tilings provides a convenient method to unambiguously compare related tetrel-rich structures and can help elucidate new possible structural arrangements of intermetallic compounds.

A Sodium Germanosilicide with Unusual Network Topology / J. Hübner, T.B. Shiell, P.A. Guńka, S. Tao, L. Zhu, M.F. Hansen, E.S. Bullock, S. Chariton, V.B. Prakapenka, Y. Fei, V.A. Blatov, D.M. Proserpio, T.A. Strobel. - In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. - ISSN 0002-7863. - 146:30(2024 Jul 17), pp. 20544-20549. [10.1021/jacs.4c03960]

A Sodium Germanosilicide with Unusual Network Topology

D.M. Proserpio
Penultimo
;
2024

Abstract

The germanosilicide Na4-xGeySi16-y (0.4 ≤ x ≤ 1.1, 4.7 ≤ y ≤ 9.3) was synthesized under high-pressure, high-temperature conditions. The novel guest-host compound comprises a unique tetrel framework with dual channels housing sodium and smaller, empty (Si,Ge)9 units. The arrangement represents a new structure type with an overall structural topology that is closely related to a hypothetical carbon allotrope. Topological analysis of the structure revealed that the guest environment space cannot be tiled with singular polyhedra as in cage compounds (e.g., clathrates). The analysis of natural tilings provides a convenient method to unambiguously compare related tetrel-rich structures and can help elucidate new possible structural arrangements of intermetallic compounds.
Germanium compounds; Silicon; Silicon compounds; Sodium compounds; Topology;
Settore CHEM-03/A - Chimica generale e inorganica
   Nature Inspired Crystal Engineering (NICE)
   NICE
   MINISTERO DELL'ISTRUZIONE E DEL MERITO
   2020Y2CZJ2_004
17-lug-2024
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/1152755
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