SgInfo - Space group Info


sginfo

On-line Documentation


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# sginfo "P 1 1 21/n" -Standard "-UnitCell=8.63289 9.10859 17.699 108.45"
Setting A:

Space Group  14:c2  C2h^5  P21/c:c2 = P1121/n  -P 2n
Point Group  2/m
Laue  Group  2/m
Monoclinic
Unique Axis  z

Order     4
Order P   4

s.i.Vector  Modulus
  1  0  0   2
  0  1  0   2
  0  0  1   2


Setting B:

Space Group  14:b1  C2h^5  P21/c:b1 = P121/c1  -P 2ybc
Point Group  2/m
Laue  Group  2/m
Monoclinic
Unique Axis  y

Order     4
Order P   4

s.i.Vector  Modulus
  1  0  0   2
  0  1  0   2
  0  0  1   2


Change of Basis Setting A -> Setting B:
   CBMx = x-y, z, -y
InvCBMx = x-z, -z, y

Setting A UnitCell  8.63289 9.10859 17.699 90 90 108.45
Setting B UnitCell  8.63289 17.699 10.3789 90 123.644 90


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