TY - JOUR
T1 - The Fluoroperovskite TlMnF3
AU - Conrad, Matthias
AU - Pietzonka, Clemens
AU - Bernzen, Janek
AU - Motta, Viviana
AU - Weitzel, Karl Michael
AU - Karttunen, Antti J.
AU - Kraus, Florian
PY - 2018
Y1 - 2018
N2 - TlMnF3 was obtained from the reduction of Tl3MnF6 under liquid ammonia, in which MnIII is obviously not redox-stable under the applied conditions. The crystal structure of TlMnF3 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) Å3 with Z = 1 at T = 140 K in the perovskite structure type (Pm3m, 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) Å3. 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 TlMnF3 is an antiferromagnet with TN = 82 K and a Weiss temperature θ of –151.2(2) K.
AB - TlMnF3 was obtained from the reduction of Tl3MnF6 under liquid ammonia, in which MnIII is obviously not redox-stable under the applied conditions. The crystal structure of TlMnF3 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) Å3 with Z = 1 at T = 140 K in the perovskite structure type (Pm3m, 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) Å3. 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 TlMnF3 is an antiferromagnet with TN = 82 K and a Weiss temperature θ of –151.2(2) K.
KW - Fluorides
KW - Magnetic properties
KW - Manganese
KW - Perovskite structure type
KW - Thallium
UR - http://www.scopus.com/inward/record.url?scp=85053878586&partnerID=8YFLogxK
U2 - 10.1002/zaac.201800305
DO - 10.1002/zaac.201800305
M3 - Article
AN - SCOPUS:85053878586
SN - 0044-2313
VL - 644
SP - 1557
EP - 1561
JO - Zeitschrift fur Anorganische und Allgemeine Chemie
JF - Zeitschrift fur Anorganische und Allgemeine Chemie
IS - 22
ER -