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The Fluoroperovskite TlMnF 3
Author(s) -
Conrad Matthias,
Pietzonka Clemens,
Bernzen Janek,
Motta Viviana,
Weitzel KarlMichael,
Karttunen Antti J.,
Kraus Florian
Publication year - 2018
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.201800305
Subject(s) - crystal structure , antiferromagnetism , diffraction , crystallography , atom (system on chip) , liquid ammonia , powder diffraction , lattice (music) , x ray crystallography , materials science , magnetic susceptibility , lattice constant , chemistry , analytical chemistry (journal) , ammonia , condensed matter physics , physics , organic chemistry , chromatography , computer science , acoustics , embedded system , optics
TlMnF 3 was obtained from the reduction of Tl 3 MnF 6 under liquid ammonia, in which Mn III is obviously not redox‐stable under the applied conditions. The crystal structure of TlMnF 3 was determined on a single crystal using X‐ray diffraction. The previously reported structure model was deduced from powder X‐ray diffraction data only and therefore a much higher precision has been reached now. The compound crystallizes in the shape of colorless cubes with lattice parameters a = 4.2370(4) Å, V = 76.06(2) Å 3 with Z = 1 at T = 140 K in the perovskite structure type ( Pm 3 m , no. 221). At room temperature ( T = 293 K), the lattice parameter of the slightly pink, almost colorless powderous compound is a = 4.2535(2) Å, V = 76.953(4) Å 3 . As the displacement parameter of the Tl atom was observed being rather large in comparison to the other atoms, the CAIT technique was used to demonstrate the mobility of the Tl cations. Additionally, quantum chemical calculations were carried out to further investigate the behavior of the Tl atoms. We calculate that most of the Tl atoms vibrate already at 75 K. Magnetic measurements showed that TlMnF 3 is an antiferromagnet with T N = 82 K and a Weiss temperature θ of –151.2(2) K.