Ab-initio Structure Solution of BaFeO2.8-d, a new polytype in the System BaFeO3-x Prepared from the Oxidative Thermal Decomposition of BaFe[(CN)5NO].3H2O

MARÍA INÉS GÓMEZ; GABRIELA LUCOTTI; JUANA A. DE MORÁN; PEDRO J. AYMONINO; SILVINA PAGOLA; PETER STEPHENS; RAÚL E. CARBONIO

Elsevier

Año: 2001 vol. 160 p. 17 - 17

font size="2" face="MathPackThree"> BaFeO2.82-d with a crystal structure different from any of those previously reported in the system BaFeOy (2.5<y<3.0) was prepared by a low-temperature method of synthesis, based on the oxidative thermal decomposition of BaFe[(CN)5NO].3H2O. The structure was solved ab initio by high-resolution synchrotron X-ray powder diffraction and refined by Rietveld analysis (RP=7.78, Rwp=11.3, Rexp=3.76, RBragg=6.67, chi