Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fe(PS3)2”

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 Fe(PS3)2 by Materials Project

Fe(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Fe(PS3)2 sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Fe–S bond distances ranging from 2.28–2.40 Å. P5+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.04 Å) and two longer (2.06 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Fe2+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Fe2+ and one P5+ atom. In the third S2- site, S2- is bonded in a water-like geometry to one Fe2+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeNi(PS3)2 by Materials Project

FeNi(PS3)2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one FeNi(PS3)2 sheet oriented in the (0, 0, 1) direction. Fe2+ is bonded to six S2- atoms to form FeS6 octahedra that share edges with three equivalent NiS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.47–2.60 Å. Ni2+ is bonded to six S2- atoms to form NiS6 octahedra that share edges with three equivalent FeS6 octahedra. There are two shorter (2.44 Å) and four longer (2.48 Å) Ni–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Fe2+, one Ni2+, and one P4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Fe2+, one Ni2+, and one P4+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to one Fe2+, one Ni2+, and one P4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Fe(PS3)2 by Materials Project

K2Fe(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.31–3.90 Å. Fe2+ is bonded in an octahedral geometry to six S2- atoms. There are two shorter (2.55 Å) and four longer (2.56 Å) Fe–S bond lengths. P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.03 Å) and one longer (2.04 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent K1+, one Fe2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent K1+, one Fe2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent K1+, one Fe2+, and one P4+ atom.

36 MATERIALS SCIENCE↗