Open AccessFlux crystal growth of uranium(v ) containing oxyfluoride perovskites
Author(s) -
Christian A. Juillerat,
Vancho Kocevski,
Gregory Morrison,
S. Karakalos,
Deepak Patil,
Scott T. Misture,
Theodore M. Besmann,
HansConrad zur Loye
Publication year - 2019
Publication title -
inorganic chemistry frontiers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.421
H-Index - 55
eISSN - 2052-1553
pISSN - 2052-1545
DOI - 10.1039/c9qi00537d
Subject(s) - uranium , x ray photoelectron spectroscopy , alkali metal , xanes , fluoride , perovskite (structure) , flux (metallurgy) , crystallography , powder diffraction , materials science , crystal growth , spectroscopy , chemistry , nuclear chemistry , inorganic chemistry , chemical engineering , metallurgy , physics , organic chemistry , quantum mechanics , engineering
The novel phases Rb4NaU3O12−xFx (1), K4NaU3O12−xFx (2), and Rb2.1K1.9KU3O12−xFx (3) were synthesized by molten flux methods using mixed alkali fluoride melts. The oxyfluorides crystallize in the cubic space group Imm with a lattice parameters of 8.7472(2) A, 8.6264(2) A, and 8.8390(3) A, respectively. All three structures crystallize in a cubic perovskite structure, ABO3 (A4BB′3O12), where the A site is fully occupied by an alkali cation, and the B site is shared by the remaining smaller alkali cation and uranium in an ordered fashion such that the alkali cation on the B site is surrounded by square uranyl bipyramids. The structures were characterized by single crystal X-ray diffraction, energy dispersive spectroscopy, X-ray absorption near edge structure spectroscopy, X-ray photoelectron spectroscopy, magnetic susceptibility measurements, DFT calculations, thermogravimetric analysis, and UV-vis spectroscopy, all of which support the presence of U(V) in the three new materials.
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