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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Safety and Abuse Testing of Energizer LiFeS2 AA Cells

The LiFeS2 test program was part of the study on state-of-the-art batteries/cells available in the commercial market. It was carried out in an effort to replace alkaline AA cells for Shuttle and Station applications. A large number of alkaline cells are used for numerous Shuttle and Station applications as loose cells. Other government agencies reported good performance and abuse tolerance of the AA LiFeS2 cells. In this study, only abuse testing was performed on the cells to determine their tolerance. The tests carried out were over-discharge, external short circuit, heat-to-vent, vibration and drop.

Jeevarajan, Judith A.↗
DOE OSTI2020

Materials Data on LiFeS2 by Materials Project

LiFeS2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Li–S bond distances ranging from 2.44–3.09 Å. Fe3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing FeS5 trigonal bipyramids. There are a spread of Fe–S bond distances ranging from 2.22–2.28 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and three equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing SLi2Fe3 trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent Li1+ and two equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiFeS2 by Materials Project

LiFeS2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent FeS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent FeS6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are two shorter (2.57 Å) and four longer (2.59 Å) Li–S bond lengths. Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent FeS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are two shorter (2.30 Å) and four longer (2.31 Å) Fe–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Fe3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiFeS2 by Materials Project

LiFeS2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with six equivalent FeS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Li–S bond lengths are 2.57 Å. Fe3+ is bonded to six equivalent S2- atoms to form FeS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with six equivalent LiS6 octahedra, and edges with six equivalent FeS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Fe–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Li1+ and three equivalent Fe3+ atoms to form a mixture of edge and corner-sharing SLi3Fe3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗