Research output: Contribution to journal › Article
An unusual high-spin ground state of Co<sup>3+</sup> in octahedral coordination in brownmillerite-type cobalt oxide. / Istomin, S.Y.; Tyablikov, O.A.; Kazakov, S.M.; Antipov, E.V.; Kurbakov, A.I.; Tsirlin, A.A.; Hollmann, N.; Chin, Y.Y.; Lin, H.-J.; Chen, C.T.; Tanaka, A.; Tjeng, L.H.; Hu, Z.
In: Dalton Transactions, No. 23, 2015, p. 10708-10713.Research output: Contribution to journal › Article
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TY - JOUR
T1 - An unusual high-spin ground state of Co3+ in octahedral coordination in brownmillerite-type cobalt oxide
AU - Istomin, S.Y.
AU - Tyablikov, O.A.
AU - Kazakov, S.M.
AU - Antipov, E.V.
AU - Kurbakov, A.I.
AU - Tsirlin, A.A.
AU - Hollmann, N.
AU - Chin, Y.Y.
AU - Lin, H.-J.
AU - Chen, C.T.
AU - Tanaka, A.
AU - Tjeng, L.H.
AU - Hu, Z.
PY - 2015
Y1 - 2015
N2 - © The Royal Society of Chemistry 2015.The crystal and magnetic structures of brownmillerite-like Sr2Co1.2Ga0.8O5 with a stable Co3+ oxidation state at both octahedral and tetrahedral sites are refined using neutron powder diffraction data collected at 2 K (S.G. Icmm, a = 5.6148(6) Å, b = 15.702(2) Å, c = 5.4543(6) Å; Rwp = 0.0339, Rp = 0.0443, χ2 = 0.775). The very large tetragonal distortion of CoO6 octahedra (1.9591(4) Å for Co-Oeq and 2.257(6) Å for Co-Oax) could be beneficial for the stabilization of the long-sought intermediate-spin state of Co3+ in perovskite-type oxides. However, the large magnetic moment of octahedral Co3+ (3.82(7)μB) indicates the conventional high-spin state of Co3+ ions, which is further supported by the results of a combined theoretical and experimental soft X-ray absorption spectroscopy study at the Co-L2,3
AB - © The Royal Society of Chemistry 2015.The crystal and magnetic structures of brownmillerite-like Sr2Co1.2Ga0.8O5 with a stable Co3+ oxidation state at both octahedral and tetrahedral sites are refined using neutron powder diffraction data collected at 2 K (S.G. Icmm, a = 5.6148(6) Å, b = 15.702(2) Å, c = 5.4543(6) Å; Rwp = 0.0339, Rp = 0.0443, χ2 = 0.775). The very large tetragonal distortion of CoO6 octahedra (1.9591(4) Å for Co-Oeq and 2.257(6) Å for Co-Oax) could be beneficial for the stabilization of the long-sought intermediate-spin state of Co3+ in perovskite-type oxides. However, the large magnetic moment of octahedral Co3+ (3.82(7)μB) indicates the conventional high-spin state of Co3+ ions, which is further supported by the results of a combined theoretical and experimental soft X-ray absorption spectroscopy study at the Co-L2,3
U2 - 10.1039/c4dt03670k
DO - 10.1039/c4dt03670k
M3 - Article
SP - 10708
EP - 10713
JO - Dalton Transactions
JF - Dalton Transactions
SN - 1477-9226
IS - 23
ER -
ID: 4006953