#*********************************************************************************
#
# Crystallographic Information File for COK-14
#
# Reference :
# Verheyen, E., Joos, L., Van Havebergh, K., Breynaert, E., Kasian, N., Gobechiya, E., Houthoofd, K., Martineau, C., Hinterstein, M., Taulelle, F., Van Speybroeck, V., Waroquier, M., Bals, S., Van Tendeloo, G., Kirschhock, C.E.A. and Martens, J.A.
# Nature Mater., 11, 1059-1064, (2012)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_COK-14
_chemical_name_systematic 'COK-14'

_cell_length_a 24.1319
_cell_length_b 13.7918
_cell_length_c 12.2977
_cell_angle_alpha 90
_cell_angle_beta 109.6
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'C 1 2/m 1'
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_space_group_name_Hall '-C 2y'
_space_group.IT_number 12

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Si3 Si 0.3016 0.7914 0.2446 0.79 1
Si4 Si 0.3131 0.7914 0.5034 7.34 1
Si5 Si 0.3252 0.7955 0.873 2.13 1
Si6 Si 0.3707 0.6846 0.1016 3.71 1
Si7 Si 0.384 0.7052 0.734 2.05 1
Si8 Si 0.2694 0 0.8014 5.21 1
Si9 Si 0.2208 0.5 0.821 2.21 1
Si10 Si 0.3187 0.5 0.6964 0.39 1
Si11 Si 0.2222 0.5 0.4547 0.32 1
Si12 Si 0.299 0.5 0.0577 2.84 1
Si13 Si 0.00003 0.8868 0.125 6.4 1
O1 O 0.3174 0.9033 0.2284 3.32 1
O2 O 0.3399 0.7215 0.1924 7.11 1
O3 O 0.3216 0.7695 0.3811 2.53 1
O4 O 0.2319 0.7702 0.1901 3 1
O5 O 0.3147 0.9064 0.529 6.95 1
O6 O 0.25 0.75 0.5 4.82 1
O7 O 0.3651 0.7327 0.5984 1.5 1
O8 O 0.3616 0.7687 0.0054 4.58 1
O9 O 0.3052 0.9075 0.8716 5.45 1
O10 O 0.3695 0.7931 0.7999 10.03 1
O11 O 0.3333 0.5933 0.0319 4.18 1
O13 O 0.3577 0.5974 0.7352 3.63 1
O14 O 0.2047 0 0.8134 3.16 1
O15 O 0.2667 0 0.668 6.16 1
O16 O 0.2347 0.5 0.9591 1.66 1
O17 O 0.2756 0.5 0.7732 7.11 1
O18 O 0.285 0.5 0.5584 4.03 1
O19 O 0.0456 0.8136 0.2152 1.03 1
Oa O 0.9377 0.8535 0.134 0.39 1
Ob O 0 0.127 0 7.03 1
Oc O 0.0103 0 0.1618 2.21 1
O36 O -0.0303 -0.246 0.594 1.97 0.08
O41 O -0.075 0.5 0.583 1.97 0.163
# End of data for COK-14