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A Sodium Germanosilicide with Unusual Network Topology

The germanosilicide Na4– x Ge y Si16–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...

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Bibliographic Details
Published in:Journal of the American Chemical Society 2024-07, Vol.146 (30), p.20544-20549
Main Authors: Hübner, Julia-Maria, Shiell, Thomas B., Guńka, Piotr A., Tao, Shuo, Zhu, Li, Hansen, Mads Fonager, Bullock, Emma S., Chariton, Stella, Prakapenka, Vitali B., Fei, Yingwei, Blatov, Vladislav A., Proserpio, Davide M., Strobel, Timothy A.
Format: Article
Language:English
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Summary:The germanosilicide Na4– x Ge y Si16–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.
ISSN:0002-7863
1520-5126
1520-5126
DOI:10.1021/jacs.4c03960