#*********************************************************************************
#
# Crystallographic Information File for ECNU-46
#
# Reference :
# Luo, Y., Xu, H., Han, Y., Tong, W., Jiao, M., Wang, N., Jiang, J., Hu, W., Wang, C., Zou, X. and Wu, P.
# Nature Synthesis, 4, 453–461, (2025)
#
#
# CIF downloaded from the IZA-SC Database of Zeolite Structures
# Ch. Baerlocher, L.B. McCusker, D.H. Brouwer and B. Marler
# Database of Zeolite Structures: https://www.iza-structure.org/databases/
#
#**********************************************************************************
data_ECNU-46
_chemical_name_systematic 'ECNU-46'
_cell_length_a 19.6532
_cell_length_b 19.6532
_cell_length_c 14.0598
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'P -6 2 c'
_symmetry_space_group_name_H-M 'P -6 2 c'
_symmetry_space_group_name_Hall 'P -6c -2c'
_space_group.IT_number 190
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
Si1 Si 0.4737 0.0643 0.25 3.2 1
Si2 Si 0.4084 0.1816 0.25 3.2 1
Si3 Si 0.492 0.2825 0.079 3.2 1
Si4 Si 0.6666 0.3333 0.139 3.2 1
Si5 Si 0.5283 0.4486 0.0539 3.2 1
Si2 Si 0.4084 0.1816 0.25 3.2 1
Si3 Si 0.492 0.2825 0.079 3.2 1
Si4 Si 0.6666 0.3333 0.139 3.2 1
Si5 Si 0.5283 0.4486 0.0539 3.2 1
Si6 Si 0.0939 0.4033 0.25 3.2 1
Si10 Si 0.1851 0.5067 0.0689 3.2 1
Si12 Si 0.3333 0.6666 0.137 3.2 1
O1 O 0.393 0.985 0.25 3.5 1
O2 O 0.521 0.066 0.16 3.5 1
O3 O 0.454 0.134 0.25 3.5 1
O4 O 0.316 0.124 0.25 3.5 1
O5 O 0.434 0.2361 0.161 3.5 1
O6 O 0.5799 0.309 0.1084 3.5 1
O7 O 0.4842 0.356 0.054 3.5 1
O8 O 0.6666 0.3333 0.25 3.5 1
O9 O 0.476 0.476 0 3.5 1
O11 O 0.07 0.313 0.25 3.5 1
O12 O 0.142 0.45 0.157 3.5 1
O13 O 0.125 0.5164 0.003 3.5 1
O14 O 0.226 0.47 0.009 3.5 1
O18 O 0.2515 0.592 0.1016 3.5 1
O21 O 0.3333 0.6666 0.25 3.5 1
Ow1 O -0.084 -0.359 -0.287 10 0.32
Ow2 O -0.164 -0.184 -0.348 10 0.5
Ow3 O 0.053 0.084 -1.192 10 0.5
Ow4 O -0.113 -0.239 1.089 10 0.5
Ow5 O 0.174 0.246 -0.965 10 0.5
Ow6 O 0.056 -0.033 -0.457 10 0.5
Ow7 O -0.018 0.245 0.491 10 0.5
Ow8 O -0.055 -0.232 1.691 10 0.5
# End of data for ECNU-46