Self-Organization of Intermetallic Systems: New Cluster-Precursors K12 = 0@12(Li9Ge3) and K9 = 0@9(Li8Ge) Li68Ge16-oC84 in the Crystal Structure, K11 = 0@11(Li6Ge5) and K6 = 0@6(Li5Ge) Cluster-Precursors in the Li44Ge24-oC68 Crystal Structure and K6 = 0@6(Li3Ge3) Cluster-Precursors in the Li12Ge12-tI24 Crystal Structure

V. Ya. Shevchenko; Шевченко В. Я.; G. D. Ilyushin; Илюшин Г. Д.

doi:10.31857/S0132665122600662

Self-Organization of Intermetallic Systems: New Cluster-Precursors K12 = 0@12(Li9Ge3) and K9 = 0@9(Li8Ge) Li68Ge16-oC84 in the Crystal Structure, K11 = 0@11(Li6Ge5) and K6 = 0@6(Li5Ge) Cluster-Precursors in the Li44Ge24-oC68 Crystal Structure and K6 = 0@6(Li3Ge3) Cluster-Precursors in the Li12Ge12-tI24 Crystal Structure

Authors: Shevchenko V.Y.¹, Ilyushin G.D.²
Affiliations:
1. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences
2. Federal Research Center “Crystallography and Photonics,” Russian Academy of Sciences
Issue: Vol 49, No 1 (2023)
Pages: 15-26
Section: Articles
URL: https://ruspoj.com/0132-6651/article/view/663202
DOI: https://doi.org/10.31857/S0132665122600662
EDN: https://elibrary.ru/CGQPBO
ID: 663202

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Abstract

A geometric and topological analysis of the crystal structures of Li68Ge16-oC84 (a = 4.551 Å, b = 22.086 Å, c = 13.275 Å, V = 13.275 Å3, Cmcm), Li44Ge24-oC68 (a = 4.380 Å, b = 24.550 Å, c = 10.540 Å, V = 1144.11 Å3, Cmcm), and Li12Ge12-tI24 (a = b = 4.053 Å, c = 23.282 Å3, I41/amd) intermetallic compounds is carried out. For the Li68Ge16-oC84 intermetallic compound, two new frame-forming clusters are found: K12 = 0@12(Li9Ge3) with symmetry m in the form of linked 5-rings Li3Ge2 and Li4Ge, with the Li atoms located in the center of the 5th rings, and K9 = 0@9(Li3Ge)(Li3)2 with symmetry m in the form of linked 3рrings (Li3)(GeLi2)(Li3). For the Li44Ge24-oC68 intermetallic compound, two new frame-forming clusters are established: K11 = 0@11(LiLi5)(Ge5) with symmetry m in the form of 5-ring Ge5 (lying at the base of the pyramid), which are coupled with the 5-atoms of Li, lying in the same plane with the Li atom (top of the pyramid) and K6 = 0@6(GeLi5) with symmetry m in the form of double tetrahedra Li3Ge having a common edge LiGe. For the Li12Ge12-tI24 intermetallic compound, the frame-forming cluster K6 = 0@6(Ge3Li3) with symmetry 2 is found in the form of double tetrahedra Li2Ge2 having a common edge LiGe. The symmetry and topological code of the processes of self-assembly of Li68Ge16-oC84, Li44Ge24-oC68, and Li12Ge12-tI24 crystal structures of cluster-precursors are reconstructed in the following form: primary chain → layer → framework.

Keywords

Li68Ge16-oC84, Li44Ge24-oC68, Li12Ge12-tI24, self-assembly of crystal structures, K12 = 0@12 (Li9Ge3), K9 = 0@9(Li8Ge), K11 = 0@11(Li6Ge5), K6 = 0@6(Li5Ge), and K6 = 0@6(Li3Ge3) cluster-precursors

About the authors

V. Ya. Shevchenko

Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences

Email: shevchenko@isc.nw.ru
199034, St. Petersburg, Russia

G. D. Ilyushin

Federal Research Center “Crystallography and Photonics,” Russian Academy of Sciences

Author for correspondence.
Email: gdilyushin@gmail.com
119333, Moscow, Russia

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