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DOE OSTI2020

Materials Data on LiAlCl4 by Materials Project

LiAlCl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share corners with two equivalent LiCl6 octahedra, corners with two equivalent AlCl4 tetrahedra, an edgeedge with one LiCl6 octahedra, and edges with two equivalent AlCl4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Li–Cl bond distances ranging from 2.48–2.89 Å. Al3+ is bonded to four Cl1- atoms to form AlCl4 tetrahedra that share corners with two equivalent LiCl6 octahedra and edges with two equivalent LiCl6 octahedra. The corner-sharing octahedra tilt angles range from 56–57°. There are two shorter (2.15 Å) and two longer (2.18 Å) Al–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to one Li1+ and one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Al3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Al3+ atom. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Li1+ and one Al3+ atom.

36 MATERIALS SCIENCE↗

NASA NTRS1985

An update of the JPL program to develop Li-SOCl2 cells

The goal of producing spiral wound D cell was met. The cell design and electrodes, particularly the carbon cathodes were produced in-house. Also all parts were assembled, the welding performed, the electrolyte aided and the cells sealed in-house. The lithium capacity (theoretical) was 19.3 Ah and that of the SOCl2 in the 1.8 m LiAlCl4 electrolyte, 16.4 Ah (a greater excess of SOCl2 is necessary for safe high rate operation). The electrode surface area was 452 sq cm. The carbon electrode comprised Shawinigen Black/Teflon -30 (90/10 by weight) mixture 0.020 inches thick on an expanded metal screen prepared in the JPL laboratory. There were two tab connections to the cathode. The 0.0078 inch thick lithium foil was rolled into an expanded nickel screen. The separator was Mead 934-5 fiberglass material.

Halpert, S.↗

NASA NTRS1991

Development of a 300 Amp-hr high rate lithium thionyl chloride cell

The development of a high-rate lithium thionyl chloride cylindrical cell with parallel plate electrodes is discussed. The development was divided into three phases: phase 1, a 150 Amp/hour low rate (1 mA/sq cm) design; phase 2, a 25 Amp/hour high rate (5 mA/sq cm) design; and phase 3, a 300 Amp/hour high rate (5 mA/sq cm) design. The basic design is the same for all three cells. The electrodes are perpendicular to the axis of the cylinder. Multiple electrodes are bussed up the side of the cylinder, 180 deg apart allowing excellent anode and cathode utilization. It is a lithium limited design with excess electrolyte. The cathode is Shawinigan or Gulf Acetylene black with no catalyst. The electrolyte is 1.8 Molar lithium tetrachloroaluminate (LiAlCl4) in thionyl chloride. All cell cases are 304L Stainless Steel with a BS&B burst disc.

Boyle, Gerard H.↗