Crystallography & Diffraction

SAED pattern indexing for precise crystal phase identification.

Solving the Crystal Puzzle

Synthesizing a material is only half the battle; proving its structure is the other. In my work on Lanthanum Perovskites, distinguishing between the rhombohedral ($R\bar{3}c$) and cubic ($Pm\bar{3}m$) phases is critical, as they have nearly identical diffraction fingerprints.

Technique: Rietveld Refinement Standard XRD matching is insufficient for complex doping studies. I employed Rietveld Refinement (using FullProf suite) to fit the entire diffraction profile.

Process: I refined lattice parameters, atomic positions, and occupancy factors.
Result: For my K-substituted $LaMnO_3$, the refinement confirmed a symmetry breaking from Rhombohedral to Cubic, induced by the larger ionic radius of Potassium in the A-site.
Precision: Achieved a Goodness of Fit ($\chi^2$) close to 1, confirming the atomic model matched the experimental reality.

Visual Methodology

XRD Patterns — Figure 1: Diffraction Data (Rietveld Refinement)

Figure 2: SAED pattern indexing

📜 Source & Citation

Note: Structural data derived from the author's doctoral research. Citation:

Kotha, V. (2022). Tailoring Transition Metal Perovskite Oxides via Low-Temperature Hydrothermal Routes as Potential Candidates for Catalytic Applications [Doctoral dissertation, IIT Bombay].

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