SgInfo - Space group Info
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# sginfo -Verify -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
Change of Basis => Reference Setting 139 D4h^17 I4/mmm -I 4 2
CBMx = x+z, x-z, y
InvCBMx = 1/2*x+1/2*y, z, 1/2*x-1/2*y
Verify O.K.
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 => Reference Setting 139 D4h^17 I4/mmm -I 4 2
CBMx = x, y, z
InvCBMx = x, y, z
Verify O.K.
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
Verify O.K.
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Ralf W. Grosse-Kunstleve
<rwgkio+sginfo@gmail.com>