The crystal structure and crystal chemistry of Cs2ZnI4 at room temperature including a comparison with the structure type of A3BX5 (A = NH4 +, Cs; B = Co, Zn, Hg; X = Cl, Br, I) compounds

Author:

Friese K.,Madariaga G.,Breczewski T.

Abstract

Abstract Cs2ZnI4 belongs to the family of A2BX4 compounds which at room temperature have a structure isomorphous to β-K2SO4. At low temperatures it is known to undergo a sequence of phase transitions. The room temperature structure crystallizes in space group Pnam with lattice parameters a = 10.812(11) Å, b = 14.464(5) Å, c = 8.306(2) Å. The structure was refined to a final R(F) value of 5.68% for 1104 reflections. As β-K2SO4 the structure is pseudohexagonal. The [ZnI4]2− tetrahedra are only slightly distorted. Csl+ ions have nine nearest I neighbours, Cs2+ have 11 nearest neighbours. Structures of type A2BX4 (β-K2SO4) are closely related to compounds of type A3BX5 (A = Cs, NH4 +; B = Co, Zn, Hg; X = Cl, Br, I) yet phase transitions have only been observed in the first. A detailed comparison of the two structure types shows that strong “underbonding” of one of the A cations, short X–X distances and the size of the cavities in which the A ions are incorporated are parameters closely connected to the occurrence of phase transitions at low temperatures.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Dimension-Controlled Synthesis of Hybrid-Mixed Halide Perovskites for Solar Cell Application;ACS Applied Materials & Interfaces;2023-09-11

2. A133Cs NMR Spin-Lattice Relaxation Study in Incommensurate Cs2CdI4;Zeitschrift für Naturforschung A;2000-02-01

3. Incommensurately modulated phase of Rb2CoBr4 at 295 and 200 K;Acta Crystallographica Section B Structural Science;2000-02-01

4. Crystal structure and symmetry mode analysis of the threefold superstructure of Cs2ZnI4 at 104 K;Zeitschrift für Kristallographie - Crystalline Materials;1999-10-01

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