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lilacdan

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PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group.      I41/a
¿Õ¼äȺ¶¨´íÁË£¬µ±ÎÒ¸ÄΪI41/aʱ£¬ÓÖ»á³öÏÖÏÂÁиü¶àAÀà´íÎó£¬ÇëÇó°ïÖú¡¤¡¤¡¤¡¤¡¤

SYMMG02_ALERT_1_A        The _symmetry_equiv_pos_as_xyz values are inconsistent
                     with the H-M symbol given
           From the CIF: _symmetry_equiv_pos_as_xyz
                                             x, y, z
                                             -x, y, -z+1/2
                                             x+1/2, y+1/2, z
                                             -x+1/2, y+1/2, -z+1/2
                                             -x, -y, -z
                                             x, -y, z-1/2
                                             -x+1/2, -y+1/2, -z
                                             x+1/2, -y+1/2, z-1/2
           These symops generate the Hall space group symbol   -c_2yc
           From the CIF: _symmetry_space_group_name_H-M     i41/a
           From the xyz: _symmetry_space_group_name_H-M     c_1_2/c_1
                     ALERT     8 symops in cif,    16 symops generated
PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group.      I41/a
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yanhualover:лл½»Á÷ 2010-09-22 08:20:59
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lilacdan

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Originally posted by jiangqibai at 2010-09-21 17:48:05:
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yanhualover:лл½»Á÷ 2010-09-22 08:21:09
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