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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2SO2 by Materials Project

Pr2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Pr–S bond lengths are 3.02 Å. There are three shorter (2.40 Å) and one longer (2.41 Å) Pr–O bond lengths. S2- is bonded to six equivalent Pr3+ atoms to form distorted SPr6 octahedra that share corners with twelve equivalent OPr4 tetrahedra, edges with six equivalent SPr6 octahedra, and edges with six equivalent OPr4 tetrahedra. O2- is bonded to four equivalent Pr3+ atoms to form OPr4 tetrahedra that share corners with six equivalent SPr6 octahedra, corners with six equivalent OPr4 tetrahedra, edges with three equivalent SPr6 octahedra, and edges with three equivalent OPr4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSO by Materials Project

PrSO is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 4-coordinate geometry to two equivalent S2- and four equivalent O2- atoms. Both Pr–S bond lengths are 3.04 Å. There are a spread of Pr–O bond distances ranging from 2.34–2.45 Å. S2- is bonded in a 3-coordinate geometry to two equivalent Pr4+ and one S2- atom. The S–S bond length is 2.10 Å. O2- is bonded to four equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSO by Materials Project

PrSO crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pr4+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Pr–S bond lengths are 3.15 Å. There are two shorter (2.37 Å) and two longer (2.41 Å) Pr–O bond lengths. S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom. The S–S bond length is 2.11 Å. O2- is bonded to four equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSO by Materials Project

PrSO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr4+ is bonded in a 4-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are a spread of Pr–S bond distances ranging from 3.09–3.34 Å. There are a spread of Pr–O bond distances ranging from 2.36–2.39 Å. S2- is bonded in a 4-coordinate geometry to five equivalent Pr4+, one S2-, and four equivalent O2- atoms. The S–S bond length is 2.10 Å. There are a spread of S–O bond distances ranging from 3.31–3.38 Å. O2- is bonded to four equivalent Pr4+ and four equivalent S2- atoms to form a mixture of edge and face-sharing OPr4S4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSO by Materials Project

PrSO is Hazelwoodite-derived structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pr4+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All Pr–S bond lengths are 3.13 Å. There are two shorter (2.36 Å) and two longer (2.49 Å) Pr–O bond lengths. S2- is bonded in a 6-coordinate geometry to four equivalent Pr4+ and two equivalent S2- atoms. There are one shorter (2.07 Å) and one longer (2.59 Å) S–S bond lengths. O2- is bonded to four equivalent Pr4+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra.

36 MATERIALS SCIENCE↗