#*********************************************************************************<br>
#<br>
# Crystallographic Information File for ECNU-21 <br>
#<br>
# Reference : <br>
#   Liu, X., Mao, W., Jiang, J., Lu, X., Peng, M., Xu, H., Han, L., Che, S. and Wu, P. <br>
#   Chem. Eur. J., 25, 4520-4529, (2019)<br>
#<br>
#<br>
# CIF downloaded from the IZA-SC Database of Zeolite Structures<br>
# Ch. Baerlocher, L.B. McCusker and D.H. Brouwer<br>
# Database of Zeolite Structures: https://www.iza-structure.org/databases/ <br>
#<br>
#**********************************************************************************<br>


data_ECNU-21<br>
_chemical_name_systematic 'ECNU-21'<br><br>

_cell_length_a      13.7419<br>
_cell_length_b      17.166<br>
_cell_length_c      5.0296 <br>
_cell_angle_alpha   90 <br>
_cell_angle_beta    90 <br>
_cell_angle_gamma   90<br>
_cell_formula_units_Z   1<br>

<br>_space_group.name_H-M_ref   'C 2 2 2'<br>
_symmetry_space_group_name_H-M   'C 2 2 2'<br>
_symmetry_space_group_name_Hall  'C 2 2'<br>
_space_group.IT_number  21 <br>
<br>
 
 loop_<br>
_atom_site_label<br>
_atom_site_type_symbol<br>
_atom_site_fract_x<br>
_atom_site_fract_y<br>
_atom_site_fract_z<br>
_atom_site_B_iso_or_equiv<br>
_atom_site_occupancy<br>
Ge1  Ge  0.208  0.334  0.979  3.3  0.019<br>
Si1  Si  0.208  0.334  0.979  3.3  0.981<br>
Ge2  Ge  0.2016  0.0908  0.47  3.3  0.032<br>
Si2  Si  0.2016  0.0908  0.47  3.3  0.968<br>
Si3  Si  0  0.1701  0.5  3.3  1<br>
Ge4  Ge  0  0.2824  0  3.3  0.07<br>
Si4  Si  0  0.2824  0  3.3  0.93<br>
O01  O  0.2349  0.3639  0.687  2.5  1<br>
O02  O  0.2444  0.1086  0.185  2.5  1<br>
O03  O  0.0938  0.3364  0.029  2.5  1<br>
O04  O  0.25  0.25  0.038  2.5  1<br>
O05  O  0.011  0.2262  0.751  2.5  1<br>
O06  O  0.2064  0  0.5  2.5  1<br>
O07  O  0.0924  0.115  0.477  2.5  1<br>

# End of data for ECNU-21<br>