modified on 17 March 2011 at 19:06 ••• 1,430 views

P4 2/m

From NWChem

Jump to: navigation, search
group number                 = 84
group name                   =     P4_2/m
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 8

+x,+y,+z
-x,-y,+z
-y,+x,+z+1/2
+y,-x,+z+1/2
-x,-y,-z
+x,+y,-z
+y,-x,-z+1/2
-y,+x,-z+1/2

= operator 1 =
 1.0 0.0 0.0 0.0
 0.0 1.0 0.0 0.0
 0.0 0.0 1.0 0.0

= operator 2 =
 -1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.0

= operator 3 =
 0.0 -1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.5

= operator 4 =
 0.0 1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.5

= operator 5 =
 -1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 -1.0 0.0

= operator 6 =
 1.0 0.0 0.0 0.0
 0.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.0

= operator 7 =
 0.0 1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.5

= operator 8 =
 0.0 -1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.5