Search NASA⌕ Search

SEARCH · Search NASA

Results for “O-P-Th”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Th2P2O9 by Materials Project

Th2O(PO4)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Th4+ is bonded to seven O2- atoms to form distorted ThO7 pentagonal bipyramids that share a cornercorner with one ThO7 pentagonal bipyramid, corners with four equivalent PO4 tetrahedra, edges with two equivalent ThO7 pentagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of Th–O bond distances ranging from 2.14–2.58 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ThO7 pentagonal bipyramids and an edgeedge with one ThO7 pentagonal bipyramid. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Th4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Th4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(PO3)4 by Materials Project

Th(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Th–O bond distances ranging from 2.39–2.45 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.48–1.50 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Th4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Th4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Th4+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThPO5 by Materials Project

ThPO5 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Th is bonded to eight O atoms to form distorted ThO8 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra, edges with three equivalent ThO8 hexagonal bipyramids, and an edgeedge with one PO4 tetrahedra. There are a spread of Th–O bond distances ranging from 2.29–2.59 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent ThO8 hexagonal bipyramids and an edgeedge with one ThO8 hexagonal bipyramid. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Th and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Th and one P atom. In the third O site, O is bonded in a linear geometry to one Th and one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Th and one P atom.

36 MATERIALS SCIENCE↗