The Crystal Structure of MnF3 Revisited

Jascha Bandemehr, Christiane Stoll, Gunter Heymann, Sergei I. Ivlev, Antti J. Karttunen, Matthias Conrad, Hubert Huppertz, Florian Kraus*

*Tämän työn vastaava kirjoittaja

Tutkimustuotos: LehtiartikkeliArticleScientificvertaisarvioitu

33 Lataukset (Pure)

Abstrakti

We correct the crystal structure of MnF3, of which the space group was reported as monoclinic C2/c (no. 15) with a = 8.9202, b = 5.0472, c = 13.4748 angstrom, beta = 92.64 degrees, V = 606.02 angstrom(3), Z = 12, mS48, T not given, likely 298 K. In the structure model proposed here, we use a unit cell of one third of the former volume. The ruby red crystals of MnF3 were synthesized by a high-pressure/high-temperature method, where MnF4 was used as a starting material. As determined on a single crystal, MnF3 crystallizes in the monoclinic space group I2/a (no. 15) with a = 5.4964(11), b = 5.0084(10), c = 7.2411(14) angstrom, beta = 93.00(3)degrees, V = 199.06(7) angstrom(3), Z = 4, mS16, T = 183(2) K. The crystal structure of MnF3 is related by a direct group-subgroup transition to the VF3 structure-type. We performed quantum chemical calculations on the crystal structure to allow the assignment of bands of the obtained vibrational spectra.

AlkuperäiskieliEnglanti
Sivumäärä8
JulkaisuZeitschrift fur Anorganische und Allgemeine Chemie
DOI - pysyväislinkit
TilaJulkaistu - 22 huhtikuuta 2020
OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

Siteeraa tätä

Bandemehr, J., Stoll, C., Heymann, G., Ivlev, S. I., Karttunen, A. J., Conrad, M., Huppertz, H., & Kraus, F. (2020). The Crystal Structure of MnF3 Revisited. Zeitschrift fur Anorganische und Allgemeine Chemie. https://doi.org/10.1002/zaac.202000025