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 FeF3(H2O)3
,
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?