The B6TFMO material, characterized by its natural layering and room temperature multiferroic properties, as well as distinctive topological features , , , exhibits significant potential for revolutionary applications in nanoelectronics and spintronics. This paper has delved into understanding the mechanisms underlying multiferroic behavior, crucial for practical applications, interlayers, demonstrating that polarization is most pronounced towards the outer perovskite cells, coupled with a significant increase in tetragonal distortion of the octahedral TiO6 geometries in these outer layers.