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DOE OSTI2020

Materials Data on Li2Si2O5 by Materials Project

Li2Si2O5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with five equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.96–2.10 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded to three equivalent Li1+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing OLi3Si tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li2Si2O5 by Materials Project

Li2Si2O5 crystallizes in the orthorhombic Ccc2 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with five equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.08 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with five equivalent LiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLi3Si tetrahedra. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two equivalent Si4+ atoms.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Crystallization of a Li2O2SiO2 Glass under High Hydrostatic Pressures

The crystallization behavior of a Li2O.2SiO2 (LS2) glass subjected to a uniform hydrostatic pressure of 4.5 or 6 GPa was investigated between 550 and 800 C using XRD, IR, Raman, TEM, NMR, and DTA. The density of the glass subjected to 6 GPa was between 2.52 plus or minus 0.01 and 2.57 plus or minus 0.01 grams per cubic centimeters, depending upon the processing temperatures, and was higher than that of the stoichiometric LS2 crystals, 2.46 plus or minus 0.01 grams per cubic centimeter. Thus, crystallization in 6 GPa glass occurred in a condition of negative volume dilatation, deltaV = V(sub glass) - V(sub crystal), while that for the 4.5 GPa glass occurred in the condition deltaV greater than 0. For deltaV greater than 0, which also includes the control glass at ambient (one atmosphere) pressure, the glasses always crystallize Li2Si2O5 (orthorhombic, Ccc2) crystals, but for deltaV less than 0 (6 GPa), the glasses crystallize Li2SiO3 crystals with a slightly deformed structure. The crystal growth rate vs. temperature curve moved to higher temperature with increasing pressure, and was independent of the sign of deltaV. These results for the effect of hydrostatic pressure on the crystallization of LS2 glass were discussed from thermodynamic considerations.

Fuss, T.↗