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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pu2O3 by Materials Project

Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2O3 by Materials Project

Pu2O3 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Pu3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Pu–O bond lengths are 2.33 Å. O2- is bonded to four equivalent Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2O3 by Materials Project

Pu2O3 is Spinel-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Pu3+ sites. In the first Pu3+ site, Pu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PuO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are a spread of Pu–O bond distances ranging from 2.29–2.41 Å. In the second Pu3+ site, Pu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PuO6 octahedra. The corner-sharing octahedra tilt angles range from 57–58°. There are a spread of Pu–O bond distances ranging from 2.30–2.40 Å. In the third Pu3+ site, Pu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are four shorter (2.34 Å) and two longer (2.35 Å) Pu–O bond lengths. In the fourth Pu3+ site, Pu3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Pu–O bond lengths are 2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. In the second O2- site, O2- is bonded to four Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. In the third O2- site, O2- is bonded to four Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. In the fourth O2- site, O2- is bonded to four Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pu2O3 by Materials Project

Pu2O3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.31 Å) and two longer (2.41 Å) Pu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra. In the third O2- site, O2- is bonded to four equivalent Pu3+ atoms to form a mixture of edge and corner-sharing OPu4 tetrahedra.

36 MATERIALS SCIENCE↗