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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on La2MgO4 by Materials Project

La2O3MgO is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.97 Å) and two longer (2.24 Å) Mg–O bond lengths. La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–2.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Mg2+ and five equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Mg2+ and four equivalent La3+ atoms to form a mixture of distorted corner, edge, and face-sharing OLa4Mg2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2MgO4 by Materials Project

La2O3MgO is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form corner-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are four shorter (2.00 Å) and two longer (2.26 Å) Mg–O bond lengths. La3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.85 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaMgO3 by Materials Project

MgLaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.97 Å. La is bonded to twelve equivalent O atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All La–O bond lengths are 2.79 Å. O is bonded in a distorted linear geometry to two equivalent Mg and four equivalent La atoms.

36 MATERIALS SCIENCE↗