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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on DyCrO4 by Materials Project

DyCrO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.33 Å) and four longer (2.44 Å) Dy–O bond lengths. Cr5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Cr–O bond lengths are 1.72 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Dy3+ and one Cr5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCrO3 by Materials Project

DyCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.71 Å. Cr3+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.02 Å) and two longer (2.03 Å) Cr–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+ and two equivalent Cr3+ atoms. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Cr3+ atoms to form distorted corner-sharing ODy2Cr2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCrO2 by Materials Project

DyCrO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Dy is bonded to six equivalent O atoms to form edge-sharing DyO6 octahedra. There are four shorter (2.36 Å) and two longer (2.37 Å) Dy–O bond lengths. Cr is bonded in a square co-planar geometry to four equivalent O atoms. All Cr–O bond lengths are 2.14 Å. O is bonded to three equivalent Dy and two equivalent Cr atoms to form a mixture of distorted edge and corner-sharing ODy3Cr2 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyCr2O2 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↗