#*********************************************************************************
#
# Crystallographic Information File for NJU120-1, as-made
#
# 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_as-made
_chemical_name_systematic 'NJU120-1, as-made'
_cell_length_a 18.6891
_cell_length_b 19.9831
_cell_length_c 39.572
_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 0.5636 0.2999 1 2
Si02 Si 0.5 0.3302 0.2959 1 2
Si03 Si 0.7115 0.6757 0.3006 1 2
Si04 Si 0.8476 0.4745 0.2668 1 2
Si05 Si 0.6391 0.3294 0.3368 1 2
Si06 Si 0.8497 0.6336 0.2662 1 2
Si07 Si 0.5 0.445 0.2454 1 2
Si08 Si 0.5 0.6705 0.2429 1 2
Si09 Si 0.6452 0.5624 0.3404 1 2
Si10 Si 0.7155 0.4393 0.303 1 2
Si11 Si 0.5794 0.3754 0.4034 1 2
Si12 Si 0.5784 0.5345 0.4048 1 2
Si13 Si 0.5834 0.4366 0.5203 1 2
Si14 Si 0.5856 0.3248 0.4734 1 2
O01 O 0.4288 0.4565 0.2235 1 2
O02 O 0.7926 0.664 0.2912 1 2
O03 O 0.7976 0.4488 0.297 1 2
O04 O 0.8262 0.4393 0.2321 1 2
O05 O 0.707 0.3687 0.322 1 2
O06 O 0.5 0.25 0.2906 1 2
O07 O 0.5 0.3702 0.2606 1 2
O08 O 0.6993 0.75 0.3145 1 2
O09 O 0.5686 0.3526 0.3169 1 2
O10 O 0.6885 0.6291 0.3316 1 2
O11 O 0.6887 0.498 0.3276 1 2
O12 O 0.5 0.4989 0.2757 1 2
O13 O 0.5 0.75 0.2495 1 2
O14 O 0.5674 0.5629 0.3234 1 2
O15 O 0.4301 0.65 0.2217 1 2
O16 O 0.638 0.5619 0.3806 1 2
O17 O 0.6617 0.665 0.2694 1 2
O18 O 0.65 0.25 0.3324 1 2
O19 O 0.8391 0.5541 0.2626 1 2
O20 O 0.5 0.3464 0.3987 1 2
O21 O 0.5 0.632 0.2785 1 2
O22 O 0.5 0.5655 0.3979 1 2
O23 O 0.6054 0.4496 0.5585 1 2
O24 O 0.6314 0.3465 0.3756 1 2
O25 O 0.6122 0.5 0.5 1 2
O26 O 0.6115 0.3568 0.4391 1 2
O27 O 0.6148 0.3696 0.5039 1 2
O28 O 0.5 0.4352 0.5188 1 2
O29 O 0.6155 0.25 0.4775 1 2
O30 O 0.5758 0.4556 0.4001 1 2
O31 O 0.5 0.325 0.4745 1 2
C1a C 0.7545 0.5668 0.4724 0.5018645 12.03376
C2a C 0.727 0.6329 0.4573 0.5018645 12.03376
C3a C 0.7901 0.6709 0.44 0.5018645 12.03376
C4a C 0.8216 0.6257 0.4122 0.5018645 12.03376
C5a C 0.8493 0.5599 0.4282 0.5018645 12.03376
C6a C 0.7858 0.5242 0.4441 0.5018645 12.03376
C7a C 0.8136 0.5809 0.498 0.5018645 12.03376
C8a C 0.8441 0.6846 0.4678 0.5018645 12.03376
C9a C 0.8746 0.6197 0.4822 0.5018645 12.03376
C10a C 0.9067 0.5768 0.4542 0.5018645 12.03376
C11a C 0.8752 0.8237 0.3358 0.5018645 12.03376
C12a C 0.8616 0.8999 0.3405 0.5018645 12.03376
C13a C 0.8739 0.9198 0.37671 0.5018645 12.03376
C14a C 0.952 0.9052 0.3848 0.5018645 12.03376
C15a C 0.9658 0.8305 0.3808 0.5018645 12.03376
C16a C 0.9528 0.8098 0.3444 0.5018645 12.03376
C18a C 0.8229 0.8787 0.3994 0.5018645 12.03376
C19a C 0.836 0.8029 0.3958 0.5018645 12.03376
C20a C 0.9157 0.7906 0.4052 0.5018645 12.03376
P1a P 0.7658 0.7547 0.422 0.5018645 12.03376
C21a C 0.7349 0.8091 0.4571 0.5018645 12.03376
C22a C 0.689 0.7419 0.3932 0.5018645 12.03376
C23a C 0.6229 0.7113 0.4093 0.5018645 12.03376
H1a H 0.7098 0.5394 0.4847 0.5018645 12.03376
H2a H 0.686 0.6176 0.4391 0.5018645 12.03376
H3a H 0.7013 0.6635 0.4774 0.5018645 12.03376
H4a H 0.7799 0.6147 0.3929 0.5018645 12.03376
H5a H 0.8733 0.5245 0.4102 0.5018645 12.03376
H6a H 0.8013 0.4737 0.4534 0.5018645 12.03376
H7a H 0.7455 0.521 0.4238 0.5018645 12.03376
H8a H 0.7901 0.6088 0.5195 0.5018645 12.03376
H9a H 0.8372 0.5326 0.5056 0.5018645 12.03376
H10a H 0.8856 0.7185 0.4593 0.5018645 12.03376
H11a H 0.815 0.7114 0.4878 0.5018645 12.03376
H12a H 0.9165 0.63 0.5013 0.5018645 12.03376
H13a H 0.9317 0.5306 0.4645 0.5018645 12.03376
H15a H 0.8652 0.8041 0.3104 0.5018645 12.03376
H16a H 0.8973 0.9292 0.3235 0.5018645 12.03376
H17a H 0.8064 0.9158 0.3364 0.5018645 12.03376
H18a H 0.862 0.9739 0.3786 0.5018645 12.03376
H19a H 0.9874 0.9344 0.3676 0.5018645 12.03376
H20a H 0.9648 0.9192 0.4108 0.5018645 12.03376
H21a H 1.0228 0.8228 0.3848 0.5018645 12.03376
H22a H 0.9645 0.7566 0.3414 0.5018645 12.03376
H23a H 0.989 0.8377 0.327 0.5018645 12.03376
H24a H 0.7715 0.796 0.3503 0.5018645 12.03376
H25a H 0.8325 0.892 0.4257 0.5018645 12.03376
H26a H 0.7667 0.891 0.3934 0.5018645 12.03376
H27a H 0.929 0.7372 0.4032 0.5018645 12.03376
H28a H 0.9255 0.8071 0.4315 0.5018645 12.03376
H29a H 0.7125 0.8552 0.4464 0.5018645 12.03376
H30a H 0.6939 0.7834 0.4726 0.5018645 12.03376
H31a H 0.7813 0.8224 0.4731 0.5018645 12.03376
H32a H 0.6769 0.7919 0.3831 0.5018645 12.03376
H33a H 0.7069 0.7087 0.3724 0.5018645 12.03376
C24a C 0.5558 0.7449 0.3966 0.5018645 12.03376
H34a H 0.6201 0.6583 0.4018 0.5018645 12.03376
H35a H 0.6235 0.7148 0.4373 0.5018645 12.03376
H36a H 0.5572 0.7527 0.3689 0.5018645 12.03376
H37a H 0.5116 0.7102 0.402 0.5018645 12.03376
C25a C 0.5464 0.8117 0.4144 0.5018645 12.03376
H38a H 0.5211 0.8047 0.4395 0.5018645 12.03376
H39a H 0.5988 0.8336 0.4199 0.5018645 12.03376
H40a H 0.517 0.847 0.3979 0.5018645 12.03376
H41a H 0.865 0.6513 0.3989 0.5018645 12.03376
H42a H 0.8319 0.7295 0.3552 0.5018645 12.03376
C1b C 0.8062 0.4403 0.4069 0.405 12.03376
C3b C 0.8954 0.4637 0.3618 0.405 12.03376
C4b C 0.9023 0.3877 0.3558 0.405 12.03376
C5b C 0.8923 0.3474 0.3892 0.405 12.03376
C6b C 0.8157 0.3638 0.4017 0.405 12.03376
C7b C 0.8558 0.4633 0.4339 0.405 12.03376
C8b C 0.9494 0.4856 0.3887 0.405 12.03376
C9b C 0.9337 0.4508 0.4225 0.405 12.03376
C10b C 0.944 0.3751 0.4176 0.405 12.03376
C11b C 0.8758 0.1948 0.4181 0.405 12.03376
C12b C 0.9069 0.1238 0.4129 0.405 12.03376
C13b C 0.8942 0.079 0.444 0.405 12.03376
C14b C 0.8135 0.0727 0.451 0.405 12.03376
C15b C 0.7824 0.1419 0.4567 0.405 12.03376
C16b C 0.7946 0.1862 0.4247 0.405 12.03376
C17b C 0.9101 0.2249 0.4499 0.405 12.03376
C18b C 0.9326 0.112 0.4737 0.405 12.03376
C19b C 0.8998 0.1798 0.4805 0.405 12.03376
C20b C 0.8188 0.1733 0.4877 0.405 12.03376
P1b P 0.8981 0.2515 0.3803 0.405 12.03376
C21b C 0.9798 0.2132 0.3614 0.405 12.03376
C22b C 0.84 0.2331 0.3431 0.405 12.03376
C23b C 0.8778 0.2437 0.3086 0.405 12.03376
H1b H 0.7541 0.4531 0.4166 0.405 12.03376
H2b H 0.7792 0.4682 0.3569 0.405 12.03376
H3b H 0.8161 0.5351 0.38 0.405 12.03376
H4b H 0.9055 0.4912 0.3379 0.405 12.03376
H5b H 0.8608 0.3731 0.3372 0.405 12.03376
H6b H 0.8049 0.3388 0.4262 0.405 12.03376
H7b H 0.7763 0.3442 0.3839 0.405 12.03376
H8b H 0.8434 0.5143 0.441 0.405 12.03376
H9b H 0.8387 0.4364 0.4562 0.405 12.03376
H10b H 1.0029 0.4707 0.3799 0.405 12.03376
H11b H 0.9477 0.5406 0.3915 0.405 12.03376
H12b H 0.9711 0.4702 0.4419 0.405 12.03376
H13b H 0.9336 0.3523 0.4417 0.405 12.03376
H14b H 1.001 0.3661 0.4154 0.405 12.03376
H15b H 0.8816 0.1019 0.3905 0.405 12.03376
H16b H 0.9652 0.1266 0.4094 0.405 12.03376
H17b H 0.9173 0.0285 0.441 0.405 12.03376
H18b H 0.784 0.0505 0.4295 0.405 12.03376
H19b H 0.8043 0.0408 0.4735 0.405 12.03376
H20b H 0.7255 0.1339 0.4623 0.405 12.03376
H21b H 0.7683 0.2352 0.4281 0.405 12.03376
H22b H 0.7701 0.1614 0.4024 0.405 12.03376
H23b H 0.9677 0.2363 0.446 0.405 12.03376
H24b H 0.9265 0.0833 0.4966 0.405 12.03376
H25b H 0.9908 0.1167 0.4687 0.405 12.03376
H26b H 0.9296 0.1993 0.5021 0.405 12.03376
H27b H 0.7942 0.2229 0.4927 0.405 12.03376
H28b H 0.8096 0.1415 0.5102 0.405 12.03376
H29b H 0.9726 0.1589 0.3573 0.405 12.03376
H30b H 0.9945 0.2314 0.3365 0.405 12.03376
H31b H 1.0242 0.2231 0.3772 0.405 12.03376
H32b H 0.8243 0.1801 0.3457 0.405 12.03376
H33b H 0.7952 0.2672 0.3453 0.405 12.03376
C24b C 0.8296 0.2589 0.2785 0.405 12.03376
C25b C 0.8757 0.2735 0.2475 0.405 12.03376
H34b H 0.9152 0.2865 0.3103 0.405 12.03376
H35b H 0.9083 0.1975 0.3023 0.405 12.03376
H36b H 0.7952 0.2153 0.2729 0.405 12.03376
H37b H 0.796 0.3032 0.2841 0.405 12.03376
H38b H 0.908 0.3196 0.2515 0.405 12.03376
H39b H 0.9121 0.2308 0.2423 0.405 12.03376
H40b H 0.8421 0.2811 0.2249 0.405 12.03376
H41b H 0.9542 0.3775 0.3437 0.405 12.03376
H42b H 0.8802 0.2702 0.4559 0.405 12.03376
# End of data for NJU120-1_as-made