I am trying to simulate the properties of
FeF3(H2O)3, so I download its crystal structure file from Crystallography Open Database, but it seems that in the lattice, the
O atom and
F atom exist at the same coordinate position.
It also shows the
F atom and
H2O are at the same coordinate in the original paper, which measures the structure of
Here is the chemical formula information of
FeF3(H2O)3. it seems the H atoms would be lost when forming a solid crystal.
Chemical name Fe F3 (H2 O)3 Formula F3 Fe H6 O3 Calculated formula F3 Fe O3
My question is:
Is it possible that two atoms exist at the same coordinate in the lattice?