Display options
Cite
Sebastian CP, Zhang L, Fehse C, et al. New stannide ScAgSn: determination of the superstructure via two-dimensional 45Sc solid state NMR. Inorg Chem. 2007;46(3):771-9doi: 10.1021/ic061691o.
Sebastian, C. P., Zhang, L., Fehse, C., Hoffmann, R. D., Eckert, H., & Pöttgen, R. (2007). New stannide ScAgSn: determination of the superstructure via two-dimensional 45Sc solid state NMR. Inorganic chemistry, 46(3), 771-9. https://doi.org/10.1021/ic061691o
Sebastian, C Peter, et al. "New stannide ScAgSn: determination of the superstructure via two-dimensional 45Sc solid state NMR." Inorganic chemistry vol. 46,3 (2007): 771-9. doi: https://doi.org/10.1021/ic061691o
Sebastian CP, Zhang L, Fehse C, Hoffmann RD, Eckert H, Pöttgen R. New stannide ScAgSn: determination of the superstructure via two-dimensional 45Sc solid state NMR. Inorg Chem. 2007 Feb 05;46(3):771-9. doi: 10.1021/ic061691o. PMID: 17257019.
Copy Download .nbib Format: NLM
Share it on

Inorg Chem. 2007 Feb 05;46(3):771-9. doi: 10.1021/ic061691o.

New stannide ScAgSn: determination of the superstructure via two-dimensional 45Sc solid state NMR.

Inorganic chemistry

C Peter Sebastian, Long Zhang, Constanze Fehse, Rolf-Dieter Hoffmann, Hellmut Eckert, Rainer Pöttgen

Affiliations

  1. Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstrasse 30, D-48149 Münster, Germany.

PMID: 17257019 DOI: 10.1021/ic061691o

Abstract

The new stannide ScAgSn was synthesized by induction melting of the elements in a sealed tantalum tube and subsequent annealing. ScAgSn crystallizes with a pronounced subcell structure: ZrNiAl type, P2m, a = 708.2(2) pm, c = 433.9(1) pm, wR2 = 0.1264, 321 F2 values, and 14 variables. The Guinier powder pattern reveals weak superstructure reflections pointing to a TiFeSi-type structural arrangement: I2cm, a = 708.1(1) pm, b = 1225.2(2) pm, c = 869.9(1) pm, wR2 = 0.0787, 5556 F2 values, and 49 variables. So far the growth of high-quality single crystals failed. Determination of the superstructure was partly based on merohedral triplet X-ray data augmented by 119Sn Mössbauer spectroscopy and 119Sn and 45Sc solid-state NMR data. In particular, the observation of three crystallographically inequivalent sites in 45Sc NMR triple quantum magic-angle spinning (TQ-MAS) NMR spectra provided unambiguous proof of the superstructure proposed. The ScAgSn structure consists of a three-dimensional [AgSn] network (with Ag-Sn distances between 273 and 280 pm) in which the scandium atoms are located in distorted hexagonal channels, each having five tin and two silver nearest neighbors. Both crystallographically independent tin sites have a tricapped trigonal prismatic coordination, that is, [Sn1Sc6Ag3] and [Sn2Ag6Sc3] environments, which are well distinguished in the 119Sn NMR and Mössbauer spectra because of their different site symmetries.

Publication Types