Research data supporting "Study of defect chemistry in the system La 2- Sr NiO 4+ by 17 O solid-state NMR spectroscopy and Ni K-edge XANES"

17O solid-state magic-angle spinning (MAS) NMR of 17O-enriched La2-xSrxNiO4+δ: broadband spin-echo spectra (pi/6 pulses) at x = 0, 0.1, 0.2, and 0.3; MATPASS spectra (pi/6 and pi/2 pulses) at x = 0, 0.1, 0.2, and 0.3; MATPASS spectra (pi/2 pulses) at x = 0.01, 0.025, and 0.05; MATPASS spectra (pi/6, pi/4, and pi/2 pulses) at x = 0.5, 0.75, and 1.0; selective (for Oi) spin-echo spectra at x = 0, 0.01, 0.025, 0.05, 0.1, 0.2, and 0.3. Raw powder XRD data of as-synthesised and 17O-enriched La2-xSrxNiO4+δ at x = 0.01, 0.025, 0.05, 0.1, 0.2, 0.3, 0.5, 0.75, and 1.0. Normalized Ni K-edge XANES data, i.e., absorption coefficients mu(E) and second derivatives of mu(E), of 17O-enriched La2-xSrxNiO4+δ at x = 0, 0.1, 0.2, 0.3, 0.5, 0.75, and 1.0.

Software / Usage instructions

TopSpin: used to display and process NMR data (.dx files) - available at https://www.bruker.com/service/support-upgrades/software-downloads/nmr.html

Keywords

NMR, solid-state NMR, MAS NMR, 17O, MATPASS NMR, MATPASS, paramagnetic NMR, mixed ionic-electronic conductors, MIECs, aliovalent substitution, doping, La2NiO4+d, La2NiO4, La2-xSrxNiO4+d, La2-xSrxNiO4, hyperfine coupling, Fermi contact, quadrupolar coupling, electric field gradient tensors, perovskites, local structural distortions, fuel cells, solid oxide fuel cells, SOFCs, oxide-ion conductors, oxide-ion dynamics, ionic conductivity, electronic conductivity, interstitial oxygen, X-ray diffraction, powder X-ray diffraction, XRD, powder XRD, X-ray near-edge absorption spectroscopy, XANES, Ni K-edge, Ni K-edge XANES, pre-edge feature, Jahn-Teller distortion, defect chemistry