Low-temperature Na4Ti5O12 from X-ray and neutron powder diffraction data

摘要

The crystal structure of the low-temperature Na4Ti5O12 (tetrasodium pentatitanium dodecaoxide) phase has been solved and refined from X-ray and neutron powder diffraction data at 295 K. The structure is trigonal, space group P3, with Z = 1, although it is pseudo-centrosymmetric. The O and Na atoms form a distorted close-packed structure, where Ti atoms occupy octahedral sites. References: 12