Crystal structure determination and characterization of Sm3SiO5F3
Author:
Zimmerhofer Fabian1, Netzer Felix2, Tribus Martina3, Huppertz Hubert1
Affiliation:
1. Institute of General, Inorganic and Theoretical Chemistry , University of Innsbruck , Innrain 80–82, 6020 , Innsbruck , Austria 2. Research Institute of Textile Chemistry and Textile Physics , University of Innsbruck , Hoechsterstrasse 73, 6850 , Dornbirn , Austria 3. Institute of Mineralogy and Petrography , University of Innsbruck , Innrain 52, 6020 , Innsbruck , Austria
Abstract
Abstract
In this paper, we present the crystal structure of the novel compound Sm3SiO5F3. Single crystals were obtained using a high-pressure/high-temperature approach. Sm3SiO5F3 crystallizes in the triclinic space group P
1
‾
$\overline{1}$
(aP24) with a = 6.1894(2), b = 7.1315(2), c = 7.3997(3) Å, α = 103.66(1), β = 98.06(1), γ = 90.16(1)°, V = 314.03(2) Å3, Z = 2 at T = 300 K and, to the best of our knowledge, presents a new structure type. BLBS and CHARDI calculations were used to assign oxidation states to the atoms, thus allowing us to differentiate between fluorine and oxygen atoms within the crystal structure. MAPLE calculations were carried out to support the structure solution. Electron microprobe measurements corroborate the ratio of Sm to Si and unequivocally prove the presence of Si within the compound. Despite various attempts, bulk synthesis of the compound could not be realized.
Publisher
Walter de Gruyter GmbH
Subject
General Chemistry
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