Bilbao Crystallographic Server
Pseudosymmetry search
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Pseudosymmetry search with BPLOT
Pseudosymmetry Search
BPLOT is a web implementation of the SSI method of the program KPLOT (developed by R. Hundt) applied to the search for pseudosymmetry. Enter your structure file in CIF format and define the three necessary tolerances for the problem:
s: centers of symmetry
t: traslation symmetries
g: symmetry directions
Structure Data
[in CIF format]
HINT
: [ The option for a given filename is preferential ]
or
fill the area:
# Comments starts with # # The space group ITA number 33 # Lattice parameters # [a] [b] [c] [α] [β] [γ] 8.53 10.14 4.10 90. 90. 90. # Number of atoms in the asymmetric unit 3 # Atomic coordinates (fractional) # [atom type] [number] [WP] [x] [y] [z] # If you don't know the Wyckoff Positions put an - instead Sb 1 - 0.1202 0.1234 0.2752 S 1 - 0.8450 0.0472 0.2547 I 2 - 0.5085 0.8284 0.25
Tolerance s:
[Centers of symmetry tolerance]
Tolerance t:
[Translation symmetries tolerance]
Tolerance g:
[Symmetry directions tolerance]
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For comments, please mail to
cryst@wm.lc.ehu.es