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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NdO2 by Materials Project

NdO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.72 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.51 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdO2 by Materials Project

NdO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Nd–O bond lengths are 2.46 Å. O is bonded to four equivalent Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdO2 by Materials Project

NdO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.33–2.39 Å. In the second Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.35–2.40 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the second O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the third O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdO2 by Materials Project

NdO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd is bonded to seven O atoms to form a mixture of distorted corner and edge-sharing NdO7 pentagonal bipyramids. There are a spread of Nd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded to four equivalent Nd atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

36 MATERIALS SCIENCE↗