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Materials Data on LaMn2CdO6 by Materials Project

LaMn2CdO6 crystallizes in the trigonal R32 space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to nine O2- atoms. There are three shorter (2.39 Å) and six longer (2.78 Å) La–O bond lengths. Mn+3.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 21–27°. There is three shorter (1.97 Å) and three longer (2.00 Å) Mn–O bond length. Cd2+ is bonded in a distorted trigonal planar geometry to nine O2- atoms. There are three shorter (2.29 Å) and six longer (2.76 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, two equivalent Mn+3.50+, and one Cd2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, two equivalent Mn+3.50+, and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on LaMn2CdO6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on LaMn2CdO6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on LaMn2CdO6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗