SgInfo - Space group Info


sginfo

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# sginfo -Hall "-F 4y 2" -Standard
Setting A:

Hall Symbol  -F 4y 2
Point Group  4/mmm
Laue  Group  4/mmm
Tetragonal
Unique Axis  y

Order    64
Order P  16

s.i.Vector  Modulus
  1  1  1   2


Setting B:

Space Group  139  D4h^17  I4/mmm  -I 4 2
Point Group  4/mmm
Laue  Group  4/mmm
Tetragonal
Unique Axis  z

Order    32
Order P  16

s.i.Vector  Modulus
  0  0  1   2


Change of Basis Setting A -> Setting B:
   CBMx = x+z, x-z, y
InvCBMx = 1/2*x+1/2*y, z, 1/2*x-1/2*y


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Ralf W. Grosse-Kunstleve <rwgkio+sginfo@gmail.com>