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xujc1983(½ð±Ò+30): ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ Ì«¸ÐлÁË£¬Ð»Ð» 2012-02-18 10:39:47
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data_MFI #************************************************************************** # # CIF taken from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher and L.B. McCusker # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # # The atom coordinates and the cell parameters were optimized with DLS76 # assuming a pure SiO2 composition. # #************************************************************************** _cell_length_a 20.0900(0) _cell_length_b 19.7380(0) _cell_length_c 13.1420(0) _cell_angle_alpha 90.0000(0) _cell_angle_beta 90.0000(0) _cell_angle_gamma 90.0000(0) _symmetry_space_group_name_H-M 'P n m a' _symmetry_Int_Tables_number 62 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz '+x,+y,+z' '1/2-x,1/2+y,1/2+z' '+x,1/2-y,+z' '1/2-x,-y,1/2+z' '-x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,1/2+y,-z' '1/2+x,+y,1/2-z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z O1 O 0.5012 0.0699 0.7018 O2 O 0.3875 0.0743 0.8008 O3 O 0.3995 0.1366 0.6251 O4 O 0.3972 0.0034 0.6326 O5 O 0.3290 0.0385 0.9722 O6 O 0.3297 0.9555 0.8155 O7 O 0.2571 0.0663 0.8106 O8 O 0.2910 0.1296 0.1060 O9 O 0.2034 0.0455 0.0275 O10 O 0.2936 0.0010 0.1564 O11 O 0.1075 0.1265 0.0883 O12 O 0.0846 0.0370 0.9443 O13 O 0.1301 0.0781 0.7670 O14 O 0.0728 0.9589 0.7832 O15 O 0.2201 0.1313 0.6456 O16 O 0.4911 0.8548 0.7169 O17 O 0.3681 0.8311 0.7743 O18 O 0.4263 0.7500 0.6431 O19 O 0.3217 0.8611 0.9561 O20 O 0.2410 0.8582 0.7990 O21 O 0.2943 0.7500 0.0579 O22 O 0.1976 0.8313 0.0003 O23 O 0.0948 0.7500 0.0205 O24 O 0.0809 0.8670 0.9275 O25 O 0.1177 0.8370 0.7406 O26 O 0.2116 0.7500 0.6913 T1 Si 0.4214 0.0711 0.6898 T2 Si 0.3259 0.0336 0.8500 T3 Si 0.2792 0.0536 0.0655 T4 Si 0.1246 0.0514 0.0481 T5 Si 0.0721 0.0360 0.8233 T6 Si 0.2034 0.0687 0.7197 T7 Si 0.4195 0.8274 0.6805 T8 Si 0.3152 0.8765 0.8361 T9 Si 0.2733 0.8278 0.0402 T10 Si 0.1185 0.8279 0.0183 T11 Si 0.0657 0.8794 0.8087 T12 Si 0.1947 0.8288 0.7092 |

5Â¥2012-02-17 22:40:44
huanghl2010
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Óù½£½ºþ(½ð±Ò+1): лл 2012-02-17 21:48:01

3Â¥2012-02-15 20:08:21
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4Â¥2012-02-15 21:44:32
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6Â¥2012-02-17 22:42:21













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