Crystal Chemistry Search
The Crystal Chemistry Search (Fig. 1) enables the user to look up atomic distances, coordination numbers and coordination polyhedra.
Figure 1: Crystal Chemistry Search
At least the following data are required:
- Atom A,
- Atom B,
- dminAB,
- dmaxAB.
For further refinement of the search oxidation states can be entered.
Please note, that oxidation states are internally handled with a tolerance of 0.1. This means that giving an oxidation state of say 2.66 in the respective field is internally seen as a range of 2.56-2.76. The reason for this tolerance is the ambiguity in determining oxidation states especially for not fully occupied positions.
Additionally it is possible to limit your structure search by checking for one or more of the following flags:
- Polytype Structure,
- Order/Disorder Structure,
- Structure Type,
- Defect Structure,
- Misfit Layer Structure,
- Disordered Structure,
- Mineral.