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Materials Data on DyHO2 by Materials Project

DyOOH crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent O2- atoms to form edge-sharing DyO6 octahedra. All Dy–O bond lengths are 2.31 Å. H1+ is bonded in a linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.23 Å. O2- is bonded to three equivalent Dy3+ and one H1+ atom to form a mixture of distorted edge and corner-sharing ODy3H tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on DyHO2 by Materials Project

DyOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Dy–O bond distances ranging from 2.21–2.41 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Dy3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Dy3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on DyHO2 by Materials Project

DyOOH crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing DyO6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are a spread of Dy–O bond distances ranging from 2.23–2.41 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.65 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Dy3+ and one H1+ atom. In the second O2- site, O2- is bonded to three equivalent Dy3+ and one H1+ atom to form distorted corner-sharing ODy3H tetrahedra.

36 MATERIALS SCIENCE↗