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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaBiO3 by Materials Project

LaBiO3 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.38 Å) and three longer (2.52 Å) La–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted edge-sharing BiO6 octahedra. There are three shorter (2.27 Å) and three longer (2.60 Å) Bi–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Bi3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaBiO3 by Materials Project

LaBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.39 Å) and three longer (2.52 Å) La–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.31 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded to two equivalent La3+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Bi2 trigonal pyramids.

36 MATERIALS SCIENCE↗