Pressure induced polymerization of simple molecules is evidenced to be a novel method to construct functional carbon materials. Recently, by controlling the decompression rate, the crystallized nanothread can be obtained by compression of the benzene which brings new chance for this area. The C6F6-C6H6 complex can form the alternating face-to-face stacking structure by strong electrostatic interaction and by compressing this complex, the ordered nanomaterial with fluorine atom modified can be expected. Our Raman, IR and TEM results show the C6F6-C6D6 can form a polymer which has a 2D lattice structure with nanometer size ordering around 18 GPa. To understand the reaction process, the crystal structure under high pressure is very important. In this proposal we plan to measure the in-situ neutron diffraction for the analysis of the structural evolution of C6F6-C6D6 under high pressure.