The _atom_site_B_iso_or_equiv values (in Ų) indicate atomic vibration:
-Phase (Yellow Phase): This is the thermodynamically stable hexagonal phase at room temperature, often assigned to the (No. 194) space group. 2. Set Lattice Parameters
loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb 0.00000 0.00000 0.00000 1.0 I I 0.00000 0.00000 0.50000 1.0 FA C 0.50000 0.50000 0.50000 1.0 FA N 0.50000 0.50000 0.50000 0.5 # simplified representation
She clicked "Export CIF."
Fapbi3 Cif File Online
The _atom_site_B_iso_or_equiv values (in Ų) indicate atomic vibration:
-Phase (Yellow Phase): This is the thermodynamically stable hexagonal phase at room temperature, often assigned to the (No. 194) space group. 2. Set Lattice Parameters
loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb 0.00000 0.00000 0.00000 1.0 I I 0.00000 0.00000 0.50000 1.0 FA C 0.50000 0.50000 0.50000 1.0 FA N 0.50000 0.50000 0.50000 0.5 # simplified representation
She clicked "Export CIF."