Fapbi3 Cif File !!top!! May 2026

Decoding FAPbI₃: A Deep Dive into the CIF File of the Leading Perovskite Solar Cell Material

Understanding the FAPbI₃ CIF File: A Key to Perovskite Crystal Structure

Calculation yields $t \approx 1.01$. A tolerance factor $> 1$ suggests that the A-site cation is too large for the cuboctahedral cavity. This induces lattice strain, which crystallographically manifests as:

3.2 Space Group: Pm-3m (No. 221)

3. How to Find the Correct CIF File

The crystallography of hybrid organic-inorganic perovskites (HOIPs) is complicated by the dynamic disorder of the organic A-site cation. In FAPbI$_3$, the FA$^+$ ion is larger than the MA$^+$ ion (ionic radius $\approx$ 2.53 Å vs 2.17 Å), exerting higher internal pressure on the PbI$_6$ octahedral framework. This results in a delicate thermodynamic balance between the cubic perovskite phase ($\alpha$-FAPbI$_3$) and the yellow, non-perovskite hexagonal phase ($\delta$-FAPbI$_3$). fapbi3 cif file