68
5 Combinatorial Studies of the Spinel and Rocksalt Regions . . .
Fig. 5.9 The c/a lattice
parameter ratio as a function
of Li fraction for three
different manganese fractions
obtained by regular cooling in
oxygen and fitting the X-ray
diffraction (XRD) patterns as
hexagonal structures
vacancies and so the minimum seen in the quality parameters is shallow. Nonetheless, it is clear that the 4b sites are partially vacant. At this composition, if nickel is in
the 2+ state and manganese in the 4+ state, we would expect approximately 19.5 %
vacancies on the 4b sites such that the composition would be Li 0.244 Mn 0.146 Ni 0.585 O.
This is a likely structure, but more study is required to clearly distinguish the lithium
atoms from vacancies.
5 Combinatorial Studies of the Spinel and Rocksalt Regions . . .
Fig. 5.9 The c/a lattice
parameter ratio as a function
of Li fraction for three
different manganese fractions
obtained by regular cooling in
oxygen and fitting the X-ray
diffraction (XRD) patterns as
hexagonal structures
vacancies and so the minimum seen in the quality parameters is shallow. Nonetheless, it is clear that the 4b sites are partially vacant. At this composition, if nickel is in
the 2+ state and manganese in the 4+ state, we would expect approximately 19.5 %
vacancies on the 4b sites such that the composition would be Li 0.244 Mn 0.146 Ni 0.585 O.
This is a likely structure, but more study is required to clearly distinguish the lithium
atoms from vacancies.