1data_YUG 2#************************************************************************** 3# 4# CIF taken from the IZA-SC Database of Zeolite Structures 5# Ch. Baerlocher and L.B. McCusker 6# Database of Zeolite Structures: http://www.iza-structure.org/databases/ 7# 8# All data on this site have been placed in the public domain. 9# If you use this work in a scientific publication, you are obligated to 10# cite its origin. 11# 12# The atom coordinates and the cell parameters were optimized with DLS76 13# assuming a pure SiO2 composition. 14# 15#************************************************************************** 16 17_cell_length_a 10.2480(0) 18_cell_length_b 13.7880(0) 19_cell_length_c 6.7820(0) 20_cell_angle_alpha 90.0000(0) 21_cell_angle_beta 111.5450(0) 22_cell_angle_gamma 90.0000(0) 23 24_symmetry_space_group_name_H-M 'C 2/m' 25_symmetry_Int_Tables_number 12 26_symmetry_cell_setting monoclinic 27 28loop_ 29_symmetry_equiv_pos_as_xyz 30'+x,+y,+z' 31'1/2+x,1/2+y,+z' 32'-x,+y,-z' 33'1/2-x,1/2+y,-z' 34'-x,-y,-z' 35'1/2-x,1/2-y,-z' 36'+x,-y,+z' 37'1/2+x,1/2-y,+z' 38 39loop_ 40_atom_site_label 41_atom_site_type_symbol 42_atom_site_fract_x 43_atom_site_fract_y 44_atom_site_fract_z 45 O1 O 0.2500 0.2500 0.5000 46 O2 O 0.3399 0.1685 0.2237 47 O3 O 0.2742 0.3535 0.1898 48 O4 O 0.5000 0.2935 0.5000 49 O5 O 0.3542 0.0000 0.0525 50 O6 O 0.5000 0.1481 0.0000 51 T1 Si 0.3411 0.2663 0.3538 52 T2 Si 0.3549 0.1156 0.0214 53 54