#*********************************************************************************
#
# Crystallographic Information File for PST-14, calcined, dehydrated
#
# Reference :
# Seo, S., Yang, T., Shin, J., Jo, D., Zou, X. and Hong, S.B.
# Angew. Chem. Int. Ed., 57, 3727-3732, (2018)
#
#
# 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_PST-14_calcined_dehydrated
_chemical_name_systematic 'PST-14, calcined, dehydrated'

_cell_length_a 14.2913
_cell_length_b 14.2913
_cell_length_c 17.9324
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 1

_space_group.name_H-M_ref 'P -4 21 c'
_symmetry_space_group_name_H-M 'P -4 21 c'
_symmetry_space_group_name_Hall 'P -4 2n'
_space_group.IT_number 114

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
Al1 Al 0.1001 0.3844 0.4203 1 1
Al2 Al 0.2406 0.2332 0.1611 1 1
Al3 Al 0.237 0.1096 0.4573 1 1
Al4 Al 0.3777 0.4012 0.4209 1 1
P5 P 0.2449 0.2703 0.3353 1 1
P6 P 0.3887 0.1021 0.0717 1 1
P7 P 0.1059 0.1105 0.0843 1 1
P8 P 0.2732 0.3938 0.0511 1 1
O9 O 0.3624 -0.0024 0.061 2.23 1
O10 O 0.1622 0.3366 0.3455 2.23 1
O11 O 0.4845 0.1051 0.1099 2.23 1
O12 O 0.2011 0.4018 -0.0102 2.23 1
O13 O 0.2576 0.2425 0.2547 2.23 1
O14 O 0.2409 0.3396 0.1184 2.23 1
O15 O 0.3251 0.1578 0.1234 2.23 1
O16 O 0.1353 0.1779 0.145 2.23 1
O17 O 0.3333 0.3246 0.3573 2.23 1
O18 O 0.235 0.1834 0.382 2.23 1
O19 O 0.3465 0.1079 0.4974 2.23 1
O20 O 1.0002 0.1019 0.0879 2.23 1
O21 O 0.134 0.1484 0.009 2.23 1
O22 O 0.1533 0.016 0.0955 2.23 1
O23 O 0.3612 0.3498 0.0199 2.23 1
O24 O 0.2079 -0.0033 0.4253 2.23 1
# End of data for PST-14_calcined_dehydrated