Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O
作者： Yuriy G. Denisenko , Alexander E. Sedykh , Maxim S. Molokeev , Aleksandr S. Oreshonkov , Aleksandr S. Aleksandrovsky
DOI: 10.1016/J.JSSC.2020.121898
关键词: Crystallization 、 Crystallography 、 Octahedron 、 Direct and indirect band gaps 、 Crystal 、 Materials science 、 Electronic structure 、 Crystal structure 、 Europium 、 Silver sulfate
摘要: Abstract In order to synthesize single crystals of europium-silver double sulfate monohydrate, a hydrothermal reaction route was used. It found that the crystallization cannot be performed under standard conditions. The compound AgEu(SO4)2·H2O crystallizes in trigonal crystal system, space group P3221 (a = 6.917(1), c = 12.996(2) A, V = 538.53(17) A3). structure consists triple-capped prisms [EuO9], which one oxygen atom belongs crystalline water, silver octahedra [AgO6], and tetrahedra [SO4]. hydrogen bonds system additionally stabilize structure. electronic band wasstudied by density functional theory calculations show is an indirect gap dielectric. Temperature dependent photoluminescence spectroscopy shows emission bands transitions from 5D0 state spin-orbit components 7FJmultiplet (J = 0–6).The ultranarrow transition - 7F0 red shift with respect other europium-containing water-free sulfates ascribed presence OH close vicinity Eu3+ ion. An effect abnormal sensitivity Ω4 intensity factor minor distortions local environment detected for observed low symmetry C2.
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