Bilbao Crystallographic Server Pseudosymmetry search Help Input Step1

The text you will give in the field formula is not used by the program but to complete the titles of the next pages.

The space group of the structure is specified by its number in the International Tables for Crystallography Vol. A. For the cases when there are more than one conventional settings the default choice is used. If you want to use some non-conventional setting or the conventional one which is not the default choice then you should give the transformation matrix that relates the non-conventional setting with the default conventional one.

The values of the cell constants should be given in Ångströms and degrees.

It is obligatory to give the number of atoms in the asymmetric unit. Its value will be used on the next step to provide a table with the corresponding number of rows for the atoms' data.

In case that you have used a non conventional setting for the description of the structure, you can give the structure data in this non conventional setting but you should provide the transformation matrix that relates this non conventional setting with the conventional one for the space group. If more than one conventional setting exists for the space group we use the default choice.

When all of the data is given, click on the [Submit] button to go to the next step - Atomic Positions.