#*********************************************************************************
#
# Crystallographic Information File for ITQ-51
#
# Reference :
# Martinez-Franco, R., Moiner, M., Yun, Y., Sun, J., Wan, W., Zou, X. and Corma, A.
# Proc. Natl. Acad. Sci., 110, 3749-3754, (2013)
#
#
# 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_ITQ-51
_chemical_name_systematic 'ITQ-51'

_cell_length_a 23.345
_cell_length_b 16.513
_cell_length_c 4.9814
_cell_angle_alpha 90
_cell_angle_beta 90.62
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P 1 21/n 1'
_symmetry_space_group_name_H-M 'P 1 21/n 1'
_symmetry_space_group_name_Hall '-P 2yn'
_space_group.IT_number 14

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
P1 P 0.21581 0.78257 0.9013 1.12 1
P2 P 0.56731 0.90136 0.0691 1.12 1
P3 P 0.36451 0.85602 0.6071 1.12 1
P4 P 0.24478 0.06211 0.2527 1.12 1
Al1 Al 0.28457 0.7299 0.4021 1.62 1
Al2 Al 0.43419 0.9086 0.0897 1.62 1
Al3 Al 0.36278 0.1507 0.4144 1.62 1
Al4 Al 0.24704 0.9496 0.7309 1.62 1
O1 O 0.31221 0.9094 0.6394 1.04 1
O2 O 0.50476 0.8817 0.0853 1.04 1
O3 O 0.30218 0.091 0.3553 1.04 1
O4 O 0.25646 0.7772 0.1373 1.04 1
O5 O 0.39205 0.8439 0.8799 1.04 1
O6 O 0.22172 0.0095 0.4745 1.04 1
O7 O 0.349 0.7707 0.5154 1.04 1
O8 O 0.2387 0.7324 0.6711 1.04 1
O9 O 0.15737 0.7517 0.9964 1.04 1
O10 O 0.2953 0.6304 0.3138 1.04 1
O11 O 0.2032 0.8685 0.81 1.04 1
O12 O 0.59524 0.8461 0.8638 1.04 1
O13 O 0.40805 0.8925 0.4161 1.04 1
O14 O 0.59363 0.8989 0.3456 1.04 1
O15 O 0.2573 0.0107 1.0095 1.04 1
O16 O 0.5753 0.9868 0.9681 1.04 1
# End of data for ITQ-51