Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “La-P-S”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LaPS4 by Materials Project

LaPS4 is Zircon-like structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to eight S2- atoms to form distorted LaS8 hexagonal bipyramids that share edges with four equivalent PS4 tetrahedra. There are four shorter (3.01 Å) and four longer (3.04 Å) La–S bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.98 Å) and four longer (3.09 Å) La–S bond lengths. P5+ is bonded to four S2- atoms to form PS4 tetrahedra that share edges with two equivalent LaS8 hexagonal bipyramids. All P–S bond lengths are 2.05 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two La3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two La3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPS by Materials Project

LaPS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.28 Å) and two longer (3.35 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.90–3.00 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.01 Å) and two longer (3.26 Å) La–P bond lengths. There are a spread of La–S bond distances ranging from 2.89–2.96 Å. P1- is bonded in a 6-coordinate geometry to four La3+ and two equivalent P1- atoms. There are one shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids. In the second S2- site, S2- is bonded to five La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗