When building a triclinic material (or importing from a .cif file). A hexagonal material with a=b and c and angles of 90,90,120. produces errors in the predicted lattice plane spacings when using space group 1 (triclinic) rather than a hexagonal preset.
This is a problem when importing .cif files because some of these files only import as triclinic.
Example: The reflections table shows the [1,0,0] and [1,-1,0] planes as having the same lattice plane spacing.
There is an additional entry for the [1,1,0] plane, which appears to have the correct lattice plane spacing.
This is the first example, but other plane families, like the [1,1,1] show the same problem.
When building a triclinic material (or importing from a .cif file). A hexagonal material with a=b and c and angles of 90,90,120. produces errors in the predicted lattice plane spacings when using space group 1 (triclinic) rather than a hexagonal preset.
This is a problem when importing .cif files because some of these files only import as triclinic.
Example: The reflections table shows the [1,0,0] and [1,-1,0] planes as having the same lattice plane spacing.
There is an additional entry for the [1,1,0] plane, which appears to have the correct lattice plane spacing.
This is the first example, but other plane families, like the [1,1,1] show the same problem.