Thank you for your reply.<BR><BR><B><I>"B. Yanchitsky" <yan@im.imag.kiev.ua></I></B> дµÀ£º <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">hongbo wang wrote:<BR>> The structure is<BR>> "_cell_length_a 5.6120<BR>> _cell_length_b 8.0099<BR>> _cell_length_c 5.4473<BR>> _cell_angle_alpha 87.9595<BR>> _cell_angle_beta 86.0102<BR>> _cell_angle_gamma 91.6115<BR>> Zn 0.51367 0.54203 0.40609<BR>> Zn 0.01648 0.03598 0.90646<BR>> F 0.52234 0.04464 0.40838<BR>> F 0.01428 0.54264 0.90308 "<BR>> When I used the "Castep",I can find the spacegroup in this structure.<BR>> Thank you for your reply!<BR><BR>Thank you for the data. sgroup really does not reveal any symmetry<BR>with large TOL (0.01). Don't know what Castep thinks about this structure, but<BR>just compare interatomic distances (using nn) from the original data, and data output<BR>from any other program. Sorry for not much
help.<BR><BR>Regards,<BR>Bogdan Yanchitsky<BR>Institute of Magnetism<BR>Vernadsky Blvd., 36-b<BR>03142 Kiev<BR>UKRAINE<BR><BR>Tel. (+380-44) 444 34 20<BR>Fax. (+380-44) 444 10 20<BR><BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<BR></BLOCKQUOTE><BR><p> 
<hr size=1><a href="http://cn.mail.yahoo.com" target=blank>ÇÀ×¢ÑÅ»¢Ãâ·ÑÓÊÏä-3.5GÈÝÁ¿£¬20M¸½¼þ£¡</a>