Figure 3: Structural refinement for MxTi2PTe2 (M=Zn, Cu).
From: Selective and low temperature transition metal intercalation in layered tellurides
Refined (a) Synchrotron X-ray diffraction and (b) neutron diffraction patterns of Zn0.4Ti2PTe2, showing observed (red), calculated (green) and difference (blue) profiles. The upper, middle and lower ticks represent the positions of the calculated Bragg reflections of Zn0.4Ti2PTe2, TiP and ZnTe, respectively. Inset of a shows the result of MEM analysis, where a strong Zn–Te bond along the c axis was observed. (c) Fourier transforms of the extended X-ray absorption fine structure (EXAFS) spectrum (blue) at the Zn K-edge of Zn0.4Ti2PTe2, which is compared with calculated Fourier transforms of (red) the anisotropic tetrahedron based on the neutron diffraction refined crystal structure, (dotted line) the equidistant tetrahedron and (dashed line) octahedron. (d) Refined synchrotron X-ray diffraction pattern of Cu0.28Ti2PTe2. The upper, middle and lower ticks represent the positions of the calculated Bragg reflections of Cu0.28Ti2PTe2, TiP and Cu, respectively.
