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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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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on P4SO6 by Materials Project

P4SO6 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4SO6 clusters. there are four inequivalent P+3.50+ sites. In the first P+3.50+ site, P+3.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.66–1.69 Å. In the second P+3.50+ site, P+3.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.66 Å) and one longer (1.69 Å) P–O bond length. In the third P+3.50+ site, P+3.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.66–1.69 Å. In the fourth P+3.50+ site, P+3.50+ is bonded in a distorted tetrahedral geometry to one S2- and three O2- atoms. The P–S bond length is 1.90 Å. All P–O bond lengths are 1.62 Å. S2- is bonded in a single-bond geometry to one P+3.50+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P4(SO2)3 by Materials Project

P4(SO2)3 is beta Np structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four P4(SO2)3 clusters. there are four inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.88 Å. There is one shorter (1.62 Å) and two longer (1.64 Å) P–O bond length. In the second P+4.50+ site, P+4.50+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.88 Å. There is one shorter (1.62 Å) and two longer (1.64 Å) P–O bond length. In the third P+4.50+ site, P+4.50+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All P–O bond lengths are 1.68 Å. In the fourth P+4.50+ site, P+4.50+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.88 Å. There is one shorter (1.62 Å) and two longer (1.64 Å) P–O bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P4(S2O)3 by Materials Project

P4(S2O)3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two P4(S2O)3 clusters. there are three inequivalent P+4.50+ sites. In the first P+4.50+ site, P+4.50+ is bonded to two S2- and two O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.09 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. In the second P+4.50+ site, P+4.50+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All P–S bond lengths are 2.14 Å. In the third P+4.50+ site, P+4.50+ is bonded to two S2- and two equivalent O2- atoms to form distorted corner-sharing PS2O2 tetrahedra. There is one shorter (1.89 Å) and one longer (2.08 Å) P–S bond length. Both P–O bond lengths are 1.64 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the second S2- site, S2- is bonded in a single-bond geometry to one P+4.50+ atom. In the third S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two P+4.50+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P+4.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2S2O3 by Materials Project

P2S2O3 is alpha Po structured and crystallizes in the tetragonal I-4c2 space group. The structure is zero-dimensional and consists of four P2S2O3 clusters. P5+ is bonded to one S2- and three O2- atoms to form distorted corner-sharing PSO3 tetrahedra. The P–S bond length is 1.87 Å. All P–O bond lengths are 1.64 Å. S2- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent P5+ atoms.

36 MATERIALS SCIENCE↗