SPACE GROUP SETTINGS
1.62 - Conventions for space group settings in WinGX
Monoclinic unique axis b unique axis c unique axis a
abc c-ba abc ba-c abc -acb
------------ ------------ ------------
cell choice 1 :b1 :-b1 :c1 :-c1 :a1 :-a1
2 :b2 :-b2 :c2 :-c2 :a2 :-a2
3 :b3 :-b3 :c3 :-c3 :a3 :-a3
Orthorhombic :ba-c change of basis abc -> ba-c
:1 origin choice 1
:2ba-c origin choice 2, change of basis abc -> ba-c
Tetragonal :1 origin choice 1
& Cubic :2 origin choice 2
Trigonal :h hexagonal axes
:r rhombohedral axes