#*********************************************************************************
#
# Crystallographic Information File for NJU120-1, calcined
#
# Reference :
# Ma, C., Zhang, Z., Zhang, M., Tian, X., Lin, C., Han, L., Li, G., Lo, B.T.W., Yung, K.-F., Song, H., Lin, W., Camblor, M.A., Xu, L. and Li, J.
# Science , 388, 1417-1421, (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_NJU120-1_calcined
_chemical_name_systematic 'NJU120-1, calcined'
_cell_length_a 18.5225
_cell_length_b 19.8273
_cell_length_c 39.3666
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1
_space_group.name_H-M_ref 'I m m a'
_symmetry_space_group_name_H-M 'I m m a'
_symmetry_space_group_name_Hall '-I 2b 2'
_space_group.IT_number 74
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
Si01 Si 0.5 0.5534 0.3037 2 1
Si02 Si 0.5 0.3274 0.2954 2 1
Si03 Si 0.7196 0.6738 0.3011 2 1
Si04 Si 0.8478 0.4742 0.2634 2 1
Si05 Si 0.6426 0.3249 0.3372 2 1
Si06 Si 0.8484 0.6296 0.2659 2 1
Si07 Si 0.5 0.4451 0.2476 2 1
Si08 Si 0.5 0.6694 0.2485 2 1
Si09 Si 0.6469 0.5614 0.3394 2 1
Si10 Si 0.7189 0.4401 0.305 2 1
Si11 Si 0.5847 0.3717 0.4048 2 1
Si12 Si 0.5852 0.5285 0.4051 2 1
Si13 Si 0.5825 0.4416 0.5222 2 1
Si14 Si 0.5826 0.3245 0.4744 2 1
O01 O 0.4304 0.4604 0.2266 2 1
O02 O 0.7979 0.6448 0.298 2 1
O03 O 0.7993 0.4467 0.2932 2 1
O04 O 0.8302 0.4367 0.2284 2 1
O05 O 0.7066 0.3735 0.3265 2 1
O06 O 0.5 0.25 0.2845 2 1
O07 O 0.5 0.3696 0.2606 2 1
O08 O 0.7258 0.75 0.3142 2 1
O09 O 0.5709 0.3469 0.3171 2 1
O10 O 0.6711 0.6338 0.328 2 1
O11 O 0.7022 0.5044 0.328 2 1
O12 O 0.5 0.4876 0.2812 2 1
O13 O 0.5 0.75 0.2594 2 1
O14 O 0.5677 0.5469 0.3279 2 1
O15 O 0.4295 0.6504 0.2271 2 1
O16 O 0.6406 0.5648 0.3799 2 1
O17 O 0.6807 0.6742 0.2648 2 1
O18 O 0.662 0.25 0.3283 2 1
O19 O 0.8381 0.5525 0.2559 2 1
O20 O 0.5 0.3491 0.403 2 1
O21 O 0.5 0.6254 0.2834 2 1
O22 O 0.5 0.5514 0.4 2 1
O23 O 0.614 0.451 0.5589 2 1
O24 O 0.6287 0.3307 0.377 2 1
O25 O 0.6134 0.5 0.5 2 1
O26 O 0.6165 0.3554 0.4414 2 1
O27 O 0.594 0.3697 0.5066 2 1
O28 O 0.5 0.4595 0.5264 2 1
O29 O 0.6081 0.25 0.4799 2 1
O30 O 0.5938 0.4499 0.3965 2 1
O31 O 0.5 0.3209 0.4643 2 1
OW1 O -1.6 -0.5574 0.9273 2 1
OW2 O -0.4307 5.4378 0.0436 2 1
# End of data for NJU120-1_calcined