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The Cesium Oxide Mercuride Cs 18 Hg 8 O 6
Author(s) -
Nusser Lukas,
Hohl Timotheus,
Tambornino Frank,
Hoch Constantin
Publication year - 2022
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.202100389
Subject(s) - octahedron , caesium , chemistry , ion , ionic bonding , crystal structure , raman spectroscopy , double salt , crystallography , oxide , mercury (programming language) , inorganic chemistry , physics , programming language , organic chemistry , computer science , optics
By reacting Cs with Cs 2 O and elemental mercury the new double salt Cs 18 Hg 8 O 6 could be obtained. Its crystal structure (cubic, space group I 23 with a =13.3920(10) Å, Z =2, R 1=0.026/0.032 for I ≥2σ( I )/all I , respectively) comprises isolated oxide anions in octahedral coordination by cesium cations next to the mercuride anion [Hg 8 ] 6− . This first isolated anion of mercury has cubic shape and is coordinated by cesium atoms capping the faces and the edges of the [Hg 8 ] 6− cube. The ionic character of the double salt is shown in DFT calculations of the electronic structure. Raman spectra show distinct features in the low energy region arising from the vibrations of the mercuride anion. Cs 18 Hg 8 O 6 has very close structural analogies to the thallide oxide Cs 18 Tl 8 O 6 .